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Molinate

UUID fe0acd60-3ddc-11dd-a89c-0050c2490048
Flow Object IDfo-bfcc2d946f3fcae8
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 2212-67-1
EC Numbers 218-661-0
prefLabel
Language Value Provenance
en Molinate
altLabel ⓘ
Language Value Provenance
en Ordram
en S-ethyl 1-hexamethyleneiminothiocarbamate
en S-ethyl N,N-hexamethylenethiocarbamate
en S-ethyl N,N-hexamethylenothiocarbamate
en S-ethyl azepane-1-carbothioate
en S-ethyl hexahydro-1H-azepine-1-carbothioate
en S-ethyl hexahydroazepine-1-carbothioate
en S-ethyl perhydroazepine-1-carbothioate
en S-ethyl perhydroazepine-1-thiocarboxylate
en S-ethyl-N-hexamethylenethiocarbamate
en ethyl 1-hexamethyleneiminecarbothiolate
en (Azepan-1-yl)(ethylsulfanyl)methanone
en 1<em>H</em>-Azepine-1-carbothioic acid, hexahydro-, <em>S</em>-ethyl ester
en <em>S</em>-Ethyl <em>N</em>,<em>N</em>-hexamethylenethiocarbamate
en <em>S</em>-Ethyl hexahydro-1<em>H</em>-azepine-1-carbothioate
en <em>S</em>-Ethyl hexahydroazepine-1-carbothioate
en Felan
en Hydram
en Jalan
en R 4572
en SC 9908
en Stauffer R 4572
en Yalan
en Yulan
Definitions
Language Value Provenance
en A member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DEDOPGXGGQYYMW-UHFFFAOYSA-N
InChI InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
IUPAC name 1-azepanecarbothioic acid S-ethyl ester, S-ethyl azepane-1-carbothioate, azepane-1-carbothioic acid S-ethyl ester
Molecular formula C9H17NOS
Molecular mass 187.308
Monoisotopic mass 187.10309
SMILES CCSC(=O)N1CCCCCC1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-a89c-0050c2490048 molinate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 molinate Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=molinate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2212-67-1; added Common Chemistry CAS names as altLabel: (Azepan-1-yl)(ethylsulfanyl)methanone, 1<em>H</em>-Azepine-1-carbothioic acid, hexahydro-, <em>S</em>-ethyl ester, <em>S</em>-Ethyl <em>N</em>,<em>N</em>-hexamethylenethiocarbamate, <em>S</em>-Ethyl hexahydro-1<em>H</em>-azepine-1-carbothioate, <em>S</em>-Ethyl hexahydroazepine-1-carbothioate, Felan, Hydram, Jalan, R 4572, SC 9908, Stauffer R 4572, Yalan, Yulan; object_uuid=fo-bfcc2d946f3fcae8
cas_match_labels 1 — consensus_match group_key=molinate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2212-67-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bfcc2d946f3fcae8: {'2212-67-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Ordram', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ordram', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl 1-hexamethyleneiminothiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl 1-hexamethyleneiminothiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl N,N-hexamethylenethiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl N,N-hexamethylenethiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl N,N-hexamethylenothiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl N,N-hexamethylenothiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl azepane-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl azepane-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl hexahydro-1H-azepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl hexahydro-1H-azepine-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl hexahydroazepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl hexahydroazepine-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl perhydroazepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl perhydroazepine-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl perhydroazepine-1-thiocarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl perhydroazepine-1-thiocarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl-N-hexamethylenethiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl-N-hexamethylenethiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 1-hexamethyleneiminecarbothiolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 1-hexamethyleneiminecarbothiolate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Ordram', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ordram', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl 1-hexamethyleneiminothiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl 1-hexamethyleneiminothiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl N,N-hexamethylenethiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl N,N-hexamethylenethiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl N,N-hexamethylenothiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl N,N-hexamethylenothiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl azepane-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl azepane-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl hexahydro-1H-azepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl hexahydro-1H-azepine-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl hexahydroazepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl hexahydroazepine-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl perhydroazepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl perhydroazepine-1-carbothioate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl perhydroazepine-1-thiocarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl perhydroazepine-1-thiocarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-ethyl-N-hexamethylenethiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-ethyl-N-hexamethylenethiocarbamate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl 1-hexamethyleneiminecarbothiolate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl 1-hexamethyleneiminecarbothiolate', 'http://purl.obolibrary.org/obo/CHEBI_6964', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Azepan-1-yl)(ethylsulfanyl)methanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-Azepine-1-carbothioic acid, hexahydro-, <em>S</em>-ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>S</em>-Ethyl <em>N</em>,<em>N</em>-hexamethylenethiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>S</em>-Ethyl hexahydro-1<em>H</em>-azepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>S</em>-Ethyl hexahydroazepine-1-carbothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Felan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydram', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Jalan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'R 4572', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SC 9908', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Stauffer R 4572', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Yalan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Yulan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2212-67-1', 'https://commonchemistry.cas.org/detail?cas_rn=2212-67-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=molinate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2212-67-1; added Common Chemistry CAS names as altLabel: (Azepan-1-yl)(ethylsulfanyl)methanone, 1<em>H</em>-Azepine-1-carbothioic acid, hexahydro-, <em>S</em>-ethyl ester, <em>S</em>-Ethyl <em>N</em>,<em>N</em>-hexamethylenethiocarbamate, <em>S</em>-Ethyl hexahydro-1<em>H</em>-azepine-1-carbothioate, <em>S</em>-Ethyl hexahydroazepine-1-carbothioate, Felan, Hydram, Jalan, R 4572, SC 9908, Stauffer R 4572, Yalan, Yulan; object_uuid=fo-bfcc2d946f3fcae8
cas_match_labels None {'2212-67-1': 'exactMatch'} group_key=molinate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2212-67-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bfcc2d946f3fcae8: {'2212-67-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "general_comment": null,
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  "unit": "kg",
  "lcia_methods": [
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.0285e-7
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  "properties": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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