Basic information
- CAS
827024-52-2- Standard SMILES
CSC(C)(C)CC(C)O- InChIKey
MGAYGJXCIKUEBN-UHFFFAOYSA-N- Molecular formula
- C7H16OS
- Average molar mass
- 148.27 g/mol
- Monoisotopic mass
- 148.0921863
Names & identifiers
- Preferred name
- 4-Methyl-4-(methylsulfanyl)pentan-2-ol
- IUPAC
- 4-methyl-4-methylsulfanylpentan-2-ol
Names & synonyms
827024-52-24-Methyl-4-(methylsulfanyl)pentan-2-olSCHEMBL29260349DTXSID20837158
Database identifiers
- CAS
827024-52-2- PubChem CID
- 71417828
- DTXSID
DTXSID20837158
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 81
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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