2-(Ethylthio)propanol

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Basic information

CAS: 72311-96-7
Standard SMILES: CCSC(C)CO
InChIKey: JAGOMSUTLHWFHA-UHFFFAOYSA-N
Molecular formula: C5H12OS
Average molar mass: 120.22 g/mol
Monoisotopic mass: 120.06088618

Names & identifiers

Preferred name: 2-(Ethylthio)propanol
IUPAC: 2-ethylsulfanylpropan-1-ol

Names & synonyms

2-(Ethylthio)propanolEINECS 276-578-572311-96-72-(ETHYLSULFANYL)PROPAN-1-OLSCHEMBL6991786SCHEMBL6991792DTXSID20993102JAGOMSUTLHWFHA-UHFFFAOYSA-NNS00061473

Database identifiers

CAS: 72311-96-7
PubChem CID: 3018335
DTXSID: DTXSID20993102
EC Number: 276-578-5
Nikkaji: J299.092J

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 39.1

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Compound notes

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