2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine

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2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine

UUID 083eb5c1-e05b-453c-a922-a8ea1b449263

Flow Object ID fo-7f54c22981d5b0db

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 256473-05-9

EC Numbers 696-441-7

prefLabel

Language	Value	Provenance
`en`	`2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-[(1-Methylethyl)thio]-3-(2,2,2-trifluoroethoxy)pyridine`
`en`	`Pyridine, 2-[(1-methylethyl)thio]-3-(2,2,2-trifluoroethoxy)-`

References

Shared Properties

Predicate	Value
InChIKey	`FGENXPNYGNZCEB-UHFFFAOYSA-N, YADVWHBCXMSTPE-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H12F3NOS/c1-7(2)16-9-8(4-3-5-14-9)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3, InChI=1S/C11H14F3NS/c1-8(2)16-10-9(4-3-7-15-10)5-6-11(12,13)14/h3-4,7-8H,5-6H2,1-2H3`
IUPAC name	2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine, 2-(isopropylthio)-3-(3,3,3-trifluoropropyl)pyridine, 2-(propan-2-ylthio)-3-(2,2,2-trifluoroethoxy)pyridine, 2-(propan-2-ylthio)-3-(3,3,3-trifluoropropyl)pyridine, 2-isopropylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine, 2-isopropylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine, 2-propan-2-ylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine, 2-propan-2-ylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine, 2-propan-2-ylsulfanyl-3-[2,2,2-tris(fluoranyl)ethoxy]pyridine, 2-propan-2-ylsulfanyl-3-[3,3,3-tris(fluoranyl)propyl]pyridine
Molecular formula	`C10H12F3NOS, C11H14F3NS`
SMILES	`CC(C)SC1=C(C=CC=N1)CCC(F)(F)F, CC(C)SC1=C(C=CC=N1)OCC(F)(F)F`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`083eb5c1-e05b-453c-a922-a8ea1b449263`	2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine	Emissions/Emissions to water/Emissions to sea 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=2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=256473-05-9; added Common Chemistry CAS names as altLabel: 2-[(1-Methylethyl)thio]-3-(2,2,2-trifluoroethoxy)pyridine, Pyridine, 2-[(1-methylethyl)thio]-3-(2,2,2-trifluoroethoxy)-; object_uuid=fo-7f54c22981d5b0db
`cas_match_labels`	1	`—`	consensus_match	group_key=2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'256473-05-9': []}; assigned CAS labels from group consensus; object_uuid=fo-7f54c22981d5b0db: {'256473-05-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-[(1-Methylethyl)thio]-3-(2,2,2-trifluoroethoxy)pyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:256473-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=256473-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridine, 2-[(1-methylethyl)thio]-3-(2,2,2-trifluoroethoxy)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:256473-05-9', 'https://commonchemistry.cas.org/detail?cas_rn=256473-05-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine\|\|dimension=Environmental > media=Water > water_body=Ocean; cas=256473-05-9; added Common Chemistry CAS names as altLabel: 2-[(1-Methylethyl)thio]-3-(2,2,2-trifluoroethoxy)pyridine, Pyridine, 2-[(1-methylethyl)thio]-3-(2,2,2-trifluoroethoxy)-; object_uuid=fo-7f54c22981d5b0db
`cas_match_labels`	`None`	`{'256473-05-9': 'exactMatch'}`	group_key=2-(isopropylthio)-3-(2,2,2-trifluoroethoxy)pyridine\|\|dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'256473-05-9': []}; assigned CAS labels from group consensus; object_uuid=fo-7f54c22981d5b0db: {'256473-05-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "2-(isopropylthio)-3-(3,3,3-trifluoropropyl)pyridine",
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        "2-(propan-2-ylthio)-3-(3,3,3-trifluoropropyl)pyridine",
        "2-isopropylsulfanyl-3-(2,2,2-trifluoroethoxy)pyridine",
        "2-isopropylsulfanyl-3-(3,3,3-trifluoropropyl)pyridine",
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