S-butyl 2-hydroxypropanethioate
Basic information
- CAS
63860-11-7- Standard SMILES
CCCCSC(=O)C(C)O- InChIKey
UCASPLQJBADHET-UHFFFAOYSA-N- Molecular formula
- C7H14O2S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.07145086
Names & identifiers
- Preferred name
- S-butyl 2-hydroxypropanethioate
- IUPAC
- S-butyl 2-hydroxypropanethioate
Names & synonyms
CHEMBL327744063860-11-7S-butyl 2-hydroxypropanethioateNSC191965DTXSID50307536BDBM50016877NSC-191965
Database identifiers
- CAS
63860-11-7- PubChem CID
- 303544
- DTXSID
DTXSID50307536- ChEMBL
CHEMBL3277440
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 104
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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