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Phenyl Isothiocyanate

UUID be02eacd-fc94-4818-87fd-fe47f03fb893
Deprecated yes
Replaced By 6c39df57-0898-4d77-8e0d-a7f6dfed6324
Flow Object IDfo-6aaa5142b48cffa7
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 103-72-0
EC Numbers 203-138-1
prefLabel
Language Value Provenance
en Phenyl Isothiocyanate
altLabel ⓘ
Language Value Provenance
en Benzene-1-isothiocyanate
en Isothiocyanic acid phenyl ester
en PITC
en Phenyl mustard oil
en Phenylsenfoel
en isothiocyanatobenzene
en Benzene isothiocyanate
en Benzene, isothiocyanato-
en Isothiocyanic acid, phenyl ester
en NSC 5583
en Phenyl thioisocyanate
en Thiocarbanil
Definitions
Language Value Provenance
en An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
IUPAC name isothiocyanatobenzene
Molecular formula C7H5NS
Molecular mass 135.191
Monoisotopic mass 135.01427
SMILES C1=CC=C(C=C1)N=C=S, S=C=Nc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 be02eacd-fc94-4818-87fd-fe47f03fb893 phenyl isothiocyanate

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=phenylisothiocyanate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=103-72-0; added Common Chemistry CAS names as altLabel: Benzene isothiocyanate, Benzene, isothiocyanato-, Isothiocyanic acid, phenyl ester, NSC 5583, Phenyl thioisocyanate, Thiocarbanil; object_uuid=fo-6aaa5142b48cffa7
cas_match_labels 1 — consensus_match group_key=phenylisothiocyanate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-72-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6aaa5142b48cffa7: {'103-72-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Benzene-1-isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzene-1-isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isothiocyanic acid phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isothiocyanic acid phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PITC', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenyl mustard oil', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylsenfoel', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylsenfoel', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanatobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanatobenzene', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Benzene-1-isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzene-1-isothiocyanate', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isothiocyanic acid phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isothiocyanic acid phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PITC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PITC', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenyl mustard oil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenyl mustard oil', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenylsenfoel', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenylsenfoel', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isothiocyanatobenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isothiocyanatobenzene', 'http://purl.obolibrary.org/obo/CHEBI_85103', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzene isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-72-0', 'https://commonchemistry.cas.org/detail?cas_rn=103-72-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzene, isothiocyanato-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-72-0', 'https://commonchemistry.cas.org/detail?cas_rn=103-72-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isothiocyanic acid, phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-72-0', 'https://commonchemistry.cas.org/detail?cas_rn=103-72-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5583', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-72-0', 'https://commonchemistry.cas.org/detail?cas_rn=103-72-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenyl thioisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-72-0', 'https://commonchemistry.cas.org/detail?cas_rn=103-72-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiocarbanil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:103-72-0', 'https://commonchemistry.cas.org/detail?cas_rn=103-72-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phenylisothiocyanate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=103-72-0; added Common Chemistry CAS names as altLabel: Benzene isothiocyanate, Benzene, isothiocyanato-, Isothiocyanic acid, phenyl ester, NSC 5583, Phenyl thioisocyanate, Thiocarbanil; object_uuid=fo-6aaa5142b48cffa7
cas_match_labels None {'103-72-0': 'exactMatch'} group_key=phenylisothiocyanate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'103-72-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6aaa5142b48cffa7: {'103-72-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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