S-(4-Acetylphenyl) dimethylcarbamothioate
Basic information
- CAS
13511-90-5- Standard SMILES
CC(=O)c1ccc(SC(=O)N(C)C)cc1- InChIKey
HOQMOQRSJLHIOD-UHFFFAOYSA-N- Molecular formula
- C11H13NO2S
- Average molar mass
- 223.29 g/mol
- Monoisotopic mass
- 223.06669983
Names & identifiers
- Preferred name
- S-(4-Acetylphenyl) dimethylcarbamothioate
- IUPAC
- S-(4-acetylphenyl) N,N-dimethylcarbamothioate
Names & synonyms
13511-90-5S-(4-acetylphenyl) dimethylcarbamothioateDTXSID00305709RefChem:379448DTXCID10256839NSC171500SCHEMBL9711117NSC-171500
Database identifiers
- CAS
13511-90-5- PubChem CID
- 299057
- DTXSID
DTXSID00305709- Nikkaji
- J1.628.047J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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