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4-[3-[(Trifluoromethyl)thio]phenyl]-1-piperazinepropanenitrile

HCID 21428331
NotesReactions

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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
50786-81-7
Standard SMILES
N#CCCN1CCN(c2cccc(SC(F)(F)F)c2)CC1
InChIKey
YTPUIIIVUWEKRC-UHFFFAOYSA-N
Molecular formula
C14H16F3N3S
Average molar mass
315.364 g/mol
Monoisotopic mass
315.10170317

Names & identifiers

Preferred name
4-[3-[(Trifluoromethyl)thio]phenyl]-1-piperazinepropanenitrile
IUPAC
3-(4-{3-[(Trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)propanenitrile

Database identifiers

CAS
50786-81-7
PubChem CID
21428331
DTXSID
DTXSID801178082

Related reactions

3 records
New reaction record
HRID 310696 reaction equation
HRID 310696As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 437345 reaction equation
HRID 437345As productuspto-grants-1977_06
HRID 1075811 reaction equation
HRID 1075811As productuspto-grants-1976_05

Compound notes

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