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Thiofanox, (E)-

UUID 12c29a44-a043-4611-9cd4-309489b58226
Flow Object IDfo-d922ff4a50f5a7ad
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 39196-18-4
EC Numbers 254-346-4
prefLabel ⓘ
Language Value Provenance
en Thiofanox, (E)-
altLabel ⓘ
Language Value Provenance
en 1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide
en 3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime
en 3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine
en Dacamox
en Thiofanocarb
en 2-Butanone, 3,3-dimethyl-1-(methylthio)-, <em>O</em>-[(methylamino)carbonyl]oxime
en 3,3-Dimethyl-1-(methylthio)-2-butanone <em>O</em>-(methylcarbamoyl)oxime
en DS 15647
en Thiofanox
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FZSVSABTBYGOQH-UHFFFAOYSA-N, FZSVSABTBYGOQH-XFFZJAGNSA-N
InChI InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12), InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-
IUPAC name N-methylcarbamic acid [(E)-[2,2-dimethyl-1-[(methylthio)methyl]propylidene]amino] ester, N-methylcarbamic acid [(E)-[3,3-dimethyl-1-(methylthio)butan-2-ylidene]amino] ester, [(E)-(3,3-dimethyl-1-methylsulfanyl-butan-2-ylidene)amino] N-methylcarbamate, [(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate, [(E)-[2,2-dimethyl-1-(methylsulfanylmethyl)propylidene]amino] N-methylcarbamate
Molecular formula C9H18N2O2S
Molecular mass 218.322
Monoisotopic mass 218.1089
SMILES CC(C)(C)/C(=N\OC(=O)NC)/CSC, CC(C)(C)C(=NOC(=O)NC)CSC, CNC(=O)ON=C(CSC)C(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 12c29a44-a043-4611-9cd4-309489b58226 3,3-dimethyl-1-(methylthio)butanone-O-(N-methylcarbamoyl)oxime

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,3-dimethyl-1-(methylthio)butanone-O-(N-methylcarbamoyl)oxime Emissions/Emissions to water/Emissions to water, unspecified kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=3,3-dimethyl-1-(methylthio)butanone-o-(n-methylcarbamoyl)oxime||dimension=Environmental > media=Ground > geography=Unknown; cas=39196-18-4; added Common Chemistry CAS names as altLabel: 2-Butanone, 3,3-dimethyl-1-(methylthio)-, <em>O</em>-[(methylamino)carbonyl]oxime, 3,3-Dimethyl-1-(methylthio)-2-butanone <em>O</em>-(methylcarbamoyl)oxime, DS 15647; object_uuid=fo-d922ff4a50f5a7ad
cas_match_labels 1 — consensus_match group_key=3,3-dimethyl-1-(methylthio)butanone-o-(n-methylcarbamoyl)oxime||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'39196-18-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d922ff4a50f5a7ad: {'39196-18-4': 'exactMatch'}
prefLabel 1 — consensus_match cas=39196-18-4; cc_chebi_agreed_name='Thiofanox'; object_uuid=fo-d922ff4a50f5a7ad

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '3,3-dimethyl-1-(methylthio)butanone-O-(N-methylcarbamoyl)oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Thiofanox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39196-18-4'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=39196-18-4; cc_chebi_agreed_name='Thiofanox'; object_uuid=fo-d922ff4a50f5a7ad
altLabel [{'@value': '1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dacamox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dacamox', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiofanocarb', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiofanocarb', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dacamox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dacamox', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiofanocarb', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiofanocarb', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-1-(methylthio)butanone-O-(N-methylcarbamoyl)oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=39196-18-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-d922ff4a50f5a7ad
altLabel [{'@value': '1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dacamox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dacamox', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiofanocarb', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiofanocarb', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-1-(methylthio)butanone-O-(N-methylcarbamoyl)oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dacamox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dacamox', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Thiofanocarb', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Thiofanocarb', 'http://purl.obolibrary.org/obo/CHEBI_38549', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Butanone, 3,3-dimethyl-1-(methylthio)-, <em>O</em>-[(methylamino)carbonyl]oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39196-18-4', 'https://commonchemistry.cas.org/detail?cas_rn=39196-18-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,3-Dimethyl-1-(methylthio)-2-butanone <em>O</em>-(methylcarbamoyl)oxime', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39196-18-4', 'https://commonchemistry.cas.org/detail?cas_rn=39196-18-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DS 15647', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39196-18-4', 'https://commonchemistry.cas.org/detail?cas_rn=39196-18-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,3-dimethyl-1-(methylthio)butanone-o-(n-methylcarbamoyl)oxime||dimension=Environmental > media=Ground > geography=Unknown; cas=39196-18-4; added Common Chemistry CAS names as altLabel: 2-Butanone, 3,3-dimethyl-1-(methylthio)-, <em>O</em>-[(methylamino)carbonyl]oxime, 3,3-Dimethyl-1-(methylthio)-2-butanone <em>O</em>-(methylcarbamoyl)oxime, DS 15647; object_uuid=fo-d922ff4a50f5a7ad
cas_match_labels None {'39196-18-4': 'exactMatch'} group_key=3,3-dimethyl-1-(methylthio)butanone-o-(n-methylcarbamoyl)oxime||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'39196-18-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d922ff4a50f5a7ad: {'39196-18-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
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  ],
  "ec_numbers": [
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    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "impact_category": "Aquatic eco-toxicity",
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      "characterization_factor": 623900.0
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    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 623900.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "12c29a44-a043-4611-9cd4-309489b58226",
  "input_datasets": [
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      "source_metadata": {
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