Basic information
- CAS
91349-57-4- Standard SMILES
CC(=O)Oc1cc(N(C)C)ccc1SC(Cl)(Cl)Cl- InChIKey
CXUYSYCANMRNHW-UHFFFAOYSA-N- Molecular formula
- C11H12Cl3NO2S
- Average molar mass
- 328.6 g/mol
- Monoisotopic mass
- 326.965433
Names & identifiers
- Preferred name
- [5-(Dimethylamino)-2-(trichloromethylsulfanyl)phenyl] acetate
- IUPAC
- [5-(dimethylamino)-2-(trichloromethylsulfanyl)phenyl] acetate
Names & synonyms
91349-57-4[5-(dimethylamino)-2-(trichloromethylsulfanyl)phenyl] acetateNSC75775DTXSID002914765-(dimethylamino)-2-[(trichloromethyl)sulfanyl]phenyl acetateNSC-75775
Database identifiers
- CAS
91349-57-4- PubChem CID
- 253192
- DTXSID
DTXSID00291476
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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