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Benzoyl Isothiocyanate

UUID 97adf2d1-3406-4fa0-b0fc-864b134bf689
Flow Object IDfo-305d7eb1c6beb293
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 532-55-8
EC Numbers 208-540-0
prefLabel
Language Value Provenance
en Benzoyl Isothiocyanate
altLabel ⓘ
Language Value Provenance
en <em>N</em>-Benzoyl isothiocyanate
en Benzoic acid, anhydride with isothiocyanic acid
en Benzoylthiocarbimide
en Isothiocyanic acid, anhydride with benzoic acid
en NSC 29259
References
Shared Properties
Predicate Value
InChIKey CPEKAXYCDKETEN-UHFFFAOYSA-N, KCQMWMWEALWVLJ-UHFFFAOYSA-N
InChI InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17), InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
IUPAC name 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid, 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoic acid, 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoic acid, 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid, 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoic acid, benzoyl isothiocyanate, isothiocyanato(phenyl)methanone
Molecular formula C11H14N4O4, C8H5NOS
SMILES C1=CC=C(C=C1)C(=O)N=C=S, CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 97adf2d1-3406-4fa0-b0fc-864b134bf689 benzoyl isothiocyanate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 benzoyl isothiocyanate Emissions/Emissions to water/Emissions to fresh 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=benzoylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; cas=532-55-8; added Common Chemistry CAS names as altLabel: <em>N</em>-Benzoyl isothiocyanate, Benzoic acid, anhydride with isothiocyanic acid, Benzoylthiocarbimide, Isothiocyanic acid, anhydride with benzoic acid, NSC 29259; object_uuid=fo-305d7eb1c6beb293
cas_match_labels 1 — consensus_match group_key=benzoylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'532-55-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-305d7eb1c6beb293: {'532-55-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>N</em>-Benzoyl isothiocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-55-8', 'https://commonchemistry.cas.org/detail?cas_rn=532-55-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoic acid, anhydride with isothiocyanic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-55-8', 'https://commonchemistry.cas.org/detail?cas_rn=532-55-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzoylthiocarbimide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-55-8', 'https://commonchemistry.cas.org/detail?cas_rn=532-55-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isothiocyanic acid, anhydride with benzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-55-8', 'https://commonchemistry.cas.org/detail?cas_rn=532-55-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 29259', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:532-55-8', 'https://commonchemistry.cas.org/detail?cas_rn=532-55-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=benzoylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; cas=532-55-8; added Common Chemistry CAS names as altLabel: <em>N</em>-Benzoyl isothiocyanate, Benzoic acid, anhydride with isothiocyanic acid, Benzoylthiocarbimide, Isothiocyanic acid, anhydride with benzoic acid, NSC 29259; object_uuid=fo-305d7eb1c6beb293
cas_match_labels None {'532-55-8': 'exactMatch'} group_key=benzoylisothiocyanate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'532-55-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-305d7eb1c6beb293: {'532-55-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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