1-Benzylsulfanyl-3-ethoxypropan-2-ol
Basic information
- CAS
5348-03-8- Standard SMILES
CCOCC(O)CSCc1ccccc1- InChIKey
RBZGUOFSMVSKCC-UHFFFAOYSA-N- Molecular formula
- C12H18O2S
- Average molar mass
- 226.34 g/mol
- Monoisotopic mass
- 226.10275099
Names & identifiers
- Preferred name
- 1-Benzylsulfanyl-3-ethoxypropan-2-ol
- IUPAC
- 1-benzylsulfanyl-3-ethoxypropan-2-ol
Names & synonyms
1-benzylsulfanyl-3-ethoxypropan-2-ol5348-03-81-(benzylthio)-3-ethoxy-2-propanolDTXSID20416386AKOS0132480031-(BENZYLSULFANYL)-3-ETHOXYPROPAN-2-OL
Database identifiers
- CAS
5348-03-8- PubChem CID
- 5332997
- DTXSID
DTXSID20416386
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 147
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Compound notes
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