Toluene-3-thiol

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UUID 5ac7e020-a284-4616-ae5e-8bd9322eb2c2

Flow Object ID fo-2116037c85b91eef

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 108-40-7

EC Numbers 203-578-4

prefLabel

Language	Value	Provenance
`en`	`Toluene-3-thiol`

altLabel ⓘ

Language	Value	Provenance
`en`	`(3-Methylphenyl)thiol`
`en`	`3-Mercaptotoluene`
`en`	`3-Methylbenzene-1-thiol`
`en`	`3-Methylbenzenethiol`
`en`	`3-Methylphenyl mercaptan`
`en`	`3-Methylthiophenol`
`en`	`<em>m</em>-Mercaptotoluene`
`en`	`<em>m</em>-Methylbenzenethiol`
`en`	`<em>m</em>-Methylthiophenol`
`en`	`<em>m</em>-Thiocresol`
`en`	`<em>m</em>-Toluenethiol`
`en`	`<em>m</em>-Tolyl mercaptan`
`en`	`<em>m</em>-Tolylthiol`
`en`	`Benzenethiol, 3-methyl-`
`en`	`NSC 81219`

References

Shared Properties

Predicate	Value
InChIKey	`IPXNXMNCBXHYLQ-UHFFFAOYSA-N, WRXOZRLZDJAYDR-UHFFFAOYSA-M, WRXOZRLZDJAYDR-UHFFFAOYSA-N`
InChI	`InChI=1S/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9), InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3, InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/p-1`
IUPAC name	`2-(1-pyrrolidinyl)acetic acid, 2-pyrrolidin-1-ylacetic acid, 2-pyrrolidin-1-ylethanoic acid, 2-pyrrolidinoacetic acid, 3-methylbenzenethiol, 3-methylbenzenethiolate`
Molecular formula	`C6H11NO2, C7H7S-, C7H8S`
SMILES	`C1CCN(C1)CC(=O)O, CC1=CC(=CC=C1)S, CC1=CC(=CC=C1)[S-]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`5ac7e020-a284-4616-ae5e-8bd9322eb2c2`	toluene-3-thiol

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	toluene-3-thiol	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=toluene-3-thiol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-40-7; added Common Chemistry CAS names as altLabel: (3-Methylphenyl)thiol, 3-Mercaptotoluene, 3-Methylbenzene-1-thiol, 3-Methylbenzenethiol, 3-Methylphenyl mercaptan, 3-Methylthiophenol, <em>m</em>-Mercaptotoluene, <em>m</em>-Methylbenzenethiol, <em>m</em>-Methylthiophenol, <em>m</em>-Thiocresol, <em>m</em>-Toluenethiol, <em>m</em>-Tolyl mercaptan, <em>m</em>-Tolylthiol, Benzenethiol, 3-methyl-, NSC 81219; object_uuid=fo-2116037c85b91eef
`cas_match_labels`	1	`—`	consensus_match	group_key=toluene-3-thiol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-40-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2116037c85b91eef: {'108-40-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(3-Methylphenyl)thiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Mercaptotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methylbenzene-1-thiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methylbenzenethiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methylphenyl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methylthiophenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Mercaptotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Methylbenzenethiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Methylthiophenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Thiocresol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Toluenethiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Tolyl mercaptan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Tolylthiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenethiol, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 81219', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:108-40-7', 'https://commonchemistry.cas.org/detail?cas_rn=108-40-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=toluene-3-thiol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=108-40-7; added Common Chemistry CAS names as altLabel: (3-Methylphenyl)thiol, 3-Mercaptotoluene, 3-Methylbenzene-1-thiol, 3-Methylbenzenethiol, 3-Methylphenyl mercaptan, 3-Methylthiophenol, <em>m</em>-Mercaptotoluene, <em>m</em>-Methylbenzenethiol, <em>m</em>-Methylthiophenol, <em>m</em>-Thiocresol, <em>m</em>-Toluenethiol, <em>m</em>-Tolyl mercaptan, <em>m</em>-Tolylthiol, Benzenethiol, 3-methyl-, NSC 81219; object_uuid=fo-2116037c85b91eef
`cas_match_labels`	`None`	`{'108-40-7': 'exactMatch'}`	group_key=toluene-3-thiol\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-40-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2116037c85b91eef: {'108-40-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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