Basic information
- CAS
63884-76-4- Standard SMILES
CN(C)C(=S)SCC(=O)Oc1ccc(Cl)cc1- InChIKey
PSVWLRDIHGGAOI-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2S2
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 288.9997987
Names & identifiers
- Preferred name
- (4-Chlorophenyl) 2-(dimethylcarbamothioylsulfanyl)acetate
- IUPAC
- (4-chlorophenyl) 2-(dimethylcarbamothioylsulfanyl)acetate
Names & synonyms
63884-76-4NSC85751DTXSID20980698NSC-857514-Chlorophenyl [(dimethylcarbamothioyl)sulfanyl]acetate
Database identifiers
- CAS
63884-76-4- PubChem CID
- 257597
- DTXSID
DTXSID20980698
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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