S-(4-Methoxyphenyl) dimethylcarbamothioate
Basic information
- CAS
13511-98-3- Standard SMILES
COc1ccc(SC(=O)N(C)C)cc1- InChIKey
XYBJKWRZUGLWIX-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669983
Names & identifiers
- Preferred name
- S-(4-Methoxyphenyl) dimethylcarbamothioate
- IUPAC
- S-(4-methoxyphenyl) N,N-dimethylcarbamothioate
Names & synonyms
S-(4-methoxyphenyl) dimethylcarbamothioate13511-98-3DTXSID90305713RefChem:379458DTXCID00256843NSC171504SCHEMBL11338721NSC-171504
Database identifiers
- CAS
13511-98-3- PubChem CID
- 299061
- DTXSID
DTXSID90305713- Nikkaji
- J1.628.051H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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