O-(2-acetylphenyl) dimethylcarbamothioate
Basic information
- CAS
14786-83-5- Standard SMILES
CC(=O)c1ccccc1OC(=S)N(C)C- InChIKey
JHTOVEBCZYGJCT-UHFFFAOYSA-N- Molecular formula
- C11H13NO2S
- Average molar mass
- 223.29 g/mol
- Monoisotopic mass
- 223.06669983
Names & identifiers
- Preferred name
- O-(2-acetylphenyl) dimethylcarbamothioate
- IUPAC
- O-(2-acetylphenyl) N,N-dimethylcarbamothioate
Names & synonyms
14786-83-5NSC171501O-(2-acetylphenyl) dimethylcarbamothioateSCHEMBL16387188DTXSID10305710NSC-171501O-(2-acetylphenyl) dimethylthiocarbamate
Database identifiers
- CAS
14786-83-5- PubChem CID
- 299058
- DTXSID
DTXSID10305710
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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