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Ethyl Isothiocyanate

UUID 63458359-290f-4166-a183-9113e5a62494
Flow Object IDfo-9286c984c8119d81
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 542-85-8
EC Numbers 208-831-2
prefLabel
Language Value Provenance
en Ethyl Isothiocyanate
altLabel ⓘ
Language Value Provenance
en EITC
en Isothiocyanic acid, ethyl ester
en isothiocyanatoethane
en 1-Isothiocyanatoethane
en Ethane, isothiocyanato-
en Ethyl mustard oil
en Ethyl thioisocyanate
en NSC 84212
Definitions
Language Value Provenance
en An isothiocyanate having an ethyl group attached to the nitrogen.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N
InChI InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
IUPAC name isothiocyanatoethane
Molecular formula C3H5NS
Molecular mass 87.147
Monoisotopic mass 87.01427
SMILES CCN=C=S

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 63458359-290f-4166-a183-9113e5a62494 ethyl isothiocyanate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl isothiocyanate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=ethylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; cas=542-85-8; added Common Chemistry CAS names as altLabel: 1-Isothiocyanatoethane, Ethane, isothiocyanato-, Ethyl mustard oil, Ethyl thioisocyanate, NSC 84212; object_uuid=fo-9286c984c8119d81
cas_match_labels 1 — consensus_match group_key=ethylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'542-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9286c984c8119d81: {'542-85-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'EITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EITC', 'http://purl.obolibrary.org/obo/CHEBI_85098', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isothiocyanic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isothiocyanic acid, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_85098', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanatoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanatoethane', 'http://purl.obolibrary.org/obo/CHEBI_85098', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'EITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:EITC', 'http://purl.obolibrary.org/obo/CHEBI_85098', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isothiocyanic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isothiocyanic acid, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_85098', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanatoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanatoethane', 'http://purl.obolibrary.org/obo/CHEBI_85098', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Isothiocyanatoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:542-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=542-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethane, isothiocyanato-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:542-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=542-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:542-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=542-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl thioisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:542-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=542-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 84212', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:542-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=542-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; cas=542-85-8; added Common Chemistry CAS names as altLabel: 1-Isothiocyanatoethane, Ethane, isothiocyanato-, Ethyl mustard oil, Ethyl thioisocyanate, NSC 84212; object_uuid=fo-9286c984c8119d81
cas_match_labels None {'542-85-8': 'exactMatch'} group_key=ethylisothiocyanate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'542-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9286c984c8119d81: {'542-85-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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