4-(Methylsulfanyl)heptan-2-ol
Basic information
- CAS
827024-50-0- Standard SMILES
CCCC(CC(C)O)SC- InChIKey
RGCQJVVUABKETG-UHFFFAOYSA-N- Molecular formula
- C8H18OS
- Average molar mass
- 162.3 g/mol
- Monoisotopic mass
- 162.10783637
Names & identifiers
- Preferred name
- 4-(Methylsulfanyl)heptan-2-ol
- IUPAC
- 4-methylsulfanylheptan-2-ol
Names & synonyms
4-(Methylsulfanyl)heptan-2-ol827024-50-0DTXSID90837160
Database identifiers
- CAS
827024-50-0- PubChem CID
- 71417830
- DTXSID
DTXSID90837160
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 75.7
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Compound notes
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