Basic information
- CAS
827024-51-1- Standard SMILES
CCC(CC(C)O)SC- InChIKey
AIKJBMKAPNTJCP-UHFFFAOYSA-N- Molecular formula
- C7H16OS
- Average molar mass
- 148.27 g/mol
- Monoisotopic mass
- 148.0921863
Names & identifiers
- Preferred name
- 4-(Methylsulfanyl)hexan-2-ol
- IUPAC
- 4-methylsulfanylhexan-2-ol
Names & synonyms
4-(Methylsulfanyl)hexan-2-ol827024-51-1DTXSID80837159
Database identifiers
- CAS
827024-51-1- PubChem CID
- 71417829
- DTXSID
DTXSID80837159
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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