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Orbencarb

UUID 3e4d2976-6556-11dd-ad8b-0800200c9a66
Flow Object IDfo-baecfed02102df01
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 34622-58-7
EC Numbers 609-008-4
prefLabel
Language Value Provenance
en Orbencarb
altLabel ⓘ
Language Value Provenance
en Diethylthiocarbamic acid S-(o-chlorobenzyl) ester
en S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate
en S-(2-chlorobenzyl) diethylcarbamothioate
en <em>S</em>-(<em>o</em>-Chlorobenzyl) <em>N</em>,<em>N</em>-diethylthiocarbamate
en <em>S</em>-2-Chlorobenzyl <em>N</em>,<em>N</em>-diethylthiocarbamate
en B 3356
en Carbamothioic acid, <em>N</em>,<em>N</em>-diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester
en Carbamothioic acid, diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester
en Orthobencarb
Definitions
Language Value Provenance
en A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey LLLFASISUZUJEQ-UHFFFAOYSA-N
InChI InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3
IUPAC name N,N-diethylcarbamothioic acid S-[(2-chlorophenyl)methyl] ester, N,N-diethylthiocarbamic acid S-(2-chlorobenzyl) ester, S-[(2-chlorophenyl)methyl] N,N-diethylcarbamothioate
Molecular formula C12H16ClNOS
Molecular mass 257.786
Monoisotopic mass 257.06411
SMILES CCN(CC)C(=O)SCC1=CC=CC=C1Cl, CCN(CC)C(=O)SCc1ccccc1Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 3e4d2976-6556-11dd-ad8b-0800200c9a66 orbencarb

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 orbencarb 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=orbencarb||dimension=Environmental > media=Ground > geography=Agricultural; cas=34622-58-7; added Common Chemistry CAS names as altLabel: <em>S</em>-(<em>o</em>-Chlorobenzyl) <em>N</em>,<em>N</em>-diethylthiocarbamate, <em>S</em>-2-Chlorobenzyl <em>N</em>,<em>N</em>-diethylthiocarbamate, B 3356, Carbamothioic acid, <em>N</em>,<em>N</em>-diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester, Carbamothioic acid, diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester, Orthobencarb; object_uuid=fo-baecfed02102df01
cas_match_labels 1 — consensus_match group_key=orbencarb||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'34622-58-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-baecfed02102df01: {'34622-58-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Diethylthiocarbamic acid S-(o-chlorobenzyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diethylthiocarbamic acid S-(o-chlorobenzyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_7778', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate', 'http://purl.obolibrary.org/obo/CHEBI_7778', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-(2-chlorobenzyl) diethylcarbamothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-(2-chlorobenzyl) diethylcarbamothioate', 'http://purl.obolibrary.org/obo/CHEBI_7778', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Diethylthiocarbamic acid S-(o-chlorobenzyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diethylthiocarbamic acid S-(o-chlorobenzyl) ester', 'http://purl.obolibrary.org/obo/CHEBI_7778', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate', 'http://purl.obolibrary.org/obo/CHEBI_7778', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'S-(2-chlorobenzyl) diethylcarbamothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:S-(2-chlorobenzyl) diethylcarbamothioate', 'http://purl.obolibrary.org/obo/CHEBI_7778', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>S</em>-(<em>o</em>-Chlorobenzyl) <em>N</em>,<em>N</em>-diethylthiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34622-58-7', 'https://commonchemistry.cas.org/detail?cas_rn=34622-58-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>S</em>-2-Chlorobenzyl <em>N</em>,<em>N</em>-diethylthiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34622-58-7', 'https://commonchemistry.cas.org/detail?cas_rn=34622-58-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'B 3356', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34622-58-7', 'https://commonchemistry.cas.org/detail?cas_rn=34622-58-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carbamothioic acid, <em>N</em>,<em>N</em>-diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34622-58-7', 'https://commonchemistry.cas.org/detail?cas_rn=34622-58-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carbamothioic acid, diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34622-58-7', 'https://commonchemistry.cas.org/detail?cas_rn=34622-58-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Orthobencarb', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:34622-58-7', 'https://commonchemistry.cas.org/detail?cas_rn=34622-58-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=orbencarb||dimension=Environmental > media=Ground > geography=Agricultural; cas=34622-58-7; added Common Chemistry CAS names as altLabel: <em>S</em>-(<em>o</em>-Chlorobenzyl) <em>N</em>,<em>N</em>-diethylthiocarbamate, <em>S</em>-2-Chlorobenzyl <em>N</em>,<em>N</em>-diethylthiocarbamate, B 3356, Carbamothioic acid, <em>N</em>,<em>N</em>-diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester, Carbamothioic acid, diethyl-, <em>S</em>-[(2-chlorophenyl)methyl] ester, Orthobencarb; object_uuid=fo-baecfed02102df01
cas_match_labels None {'34622-58-7': 'exactMatch'} group_key=orbencarb||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'34622-58-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-baecfed02102df01: {'34622-58-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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