Propanenitrile, 3-(ethylthio)-

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Basic information

CAS: 3088-46-8
Standard SMILES: CCSCCC#N
InChIKey: IVUFBXHGCATYAU-UHFFFAOYSA-N
Molecular formula: C5H9NS
Average molar mass: 115.2 g/mol
Monoisotopic mass: 115.04557046

Names & identifiers

Preferred name: Propanenitrile, 3-(ethylthio)-
IUPAC: 3-ethylsulfanylpropanenitrile

Names & synonyms

Propanenitrile, 3-(ethylthio)-3088-46-8NSC 9907NSC99073-(Ethylthio)propanenitrile3-(Ethylsulfanyl)propanenitrileSCHEMBL8895047SCHEMBL10660527SCHEMBL10821639SCHEMBL11205437DTXSID90278751IVUFBXHGCATYAU-UHFFFAOYSA-N

Show more names

3-(Ethylsulfanyl)propanenitrile #NSC-9907AKOS000220340

Database identifiers

CAS: 3088-46-8
PubChem CID: 222869
DTXSID: DTXSID90278751

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 71.4

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Compound notes

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