Basic information
- CAS
652154-35-3- Standard SMILES
CNC(=O)SCCCCO- InChIKey
CFWKSFGKBOKZHK-UHFFFAOYSA-N- Molecular formula
- C6H13NO2S
- Average molar mass
- 163.24 g/mol
- Monoisotopic mass
- 163.06669983
Names & identifiers
- Preferred name
- Carbamothioic acid, methyl-, S-(4-hydroxybutyl) ester
- IUPAC
- S-(4-hydroxybutyl) N-methylcarbamothioate
Names & synonyms
652154-35-3S-(4-Hydroxybutyl) methylcarbamothioateCarbamothioic acid, methyl-, S-(4-hydroxybutyl) esterDTXSID20461538S-4-Hydroxybutyl methylcarbamothioate
Database identifiers
- CAS
652154-35-3- PubChem CID
- 11298144
- DTXSID
DTXSID20461538
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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