Benzoyl Isothiocyanate

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UUID 37506003-26f6-4e0f-a2f6-94781e1c9bb5

Flow Object ID fo-305d7eb1c6beb293

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

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	`37506003-26f6-4e0f-a2f6-94781e1c9bb5`	benzoyl isothiocyanate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	benzoyl isothiocyanate	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

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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