Propanenitrile, 3-(hexylthio)-

HCID 11615258

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Basic information

CAS: 62508-39-8
Standard SMILES: CCCCCCSCCC#N
InChIKey: WKVJBTZEDPXKRM-UHFFFAOYSA-N
Molecular formula: C9H17NS
Average molar mass: 171.31 g/mol
Monoisotopic mass: 171.10817072

Names & identifiers

Preferred name: Propanenitrile, 3-(hexylthio)-
IUPAC: 3-hexylsulfanylpropanenitrile

Names & synonyms

Propanenitrile, 3-(hexylthio)-62508-39-8DTXSID10469467RefChem:374542DTXCID604202853-(hexylsulfanyl)propionitrilebeta-n-HexylmercaptopropionitrileSCHEMBL11847337WKVJBTZEDPXKRM-UHFFFAOYSA-N3-(HEXYLSULFANYL)PROPANENITRILE

Database identifiers

CAS: 62508-39-8
PubChem CID: 11615258
DTXSID: DTXSID10469467

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 114

Related reactions

1 records

New reaction record

HRID 1287192As productuspto-grants-1976_10

Compound notes

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