Basic information
- CAS
846047-56-1- Standard SMILES
C[C@H](O)[C@H](C)S- InChIKey
MJQWABQELVFQJL-IMJSIDKUSA-N- Molecular formula
- C4H10OS
- Average molar mass
- 106.19 g/mol
- Monoisotopic mass
- 106.04523611
Names & identifiers
- Preferred name
- Nlu8zzc6D3
- IUPAC
- (2S,3S)-3-sulfanylbutan-2-ol
Names & synonyms
NLU8ZZC6D3UNII-NLU8ZZC6D33-Mercapto-2-butanol, (2S,3S)-2-Butanol, 3-mercapto-, (2S,3S)-846047-56-1
Database identifiers
- CAS
846047-56-1- PubChem CID
- 40487526
- UNII
- NLU8ZZC6D3
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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