Basic information
- CAS
1216-67-7- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)SC(Cl)(Cl)Cl)cc1- InChIKey
KJEADIPMVDZRPF-UHFFFAOYSA-N- Molecular formula
- C9H8Cl3NO3S2
- Average molar mass
- 348.7 g/mol
- Monoisotopic mass
- 346.901119
Names & identifiers
- Preferred name
- s-(Trichloromethyl) 4-(acetylamino)benzenesulfonothioate
- IUPAC
- N-[4-(trichloromethylsulfanylsulfonyl)phenyl]acetamide
Names & synonyms
s-(trichloromethyl) 4-(acetylamino)benzenesulfonothioate1216-67-7DTXSID90292816RefChem:379483DTXCID20243957NSC85675NCIOpen2_009444NSC-85675S-Trichloromethyl 4-acetamidobenzene-1-sulfonothioate
Database identifiers
- CAS
1216-67-7- PubChem CID
- 257565
- DTXSID
DTXSID90292816
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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