4-[(2-Phenylethenyl)sulfanyl]butan-1-OL
Basic information
- CAS
830321-04-5- Standard SMILES
OCCCCSC=Cc1ccccc1- InChIKey
ONOKAKYBKOEKLL-UHFFFAOYSA-N- Molecular formula
- C12H16OS
- Average molar mass
- 208.32 g/mol
- Monoisotopic mass
- 208.0921863
Names & identifiers
- Preferred name
- 4-[(2-Phenylethenyl)sulfanyl]butan-1-OL
- IUPAC
- 4-(2-phenylethenylsulfanyl)butan-1-ol
Names & synonyms
830321-04-54-[(2-PHENYLETHENYL)SULFANYL]BUTAN-1-OLDTXSID408359794-[(2-Phenylethen-1-yl)sulfanyl]butan-1-ol
Database identifiers
- CAS
830321-04-5- PubChem CID
- 71416601
- DTXSID
DTXSID40835979
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 150
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Compound notes
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