1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene
Basic information
- CAS
16627-04-6- Standard SMILES
O=S(=O)(c1ccc(SCl)cc1)C(Cl)C(Cl)(Cl)Cl- InChIKey
LSTSJSZHVSAISQ-UHFFFAOYSA-N- Molecular formula
- C8H5Cl5O2S2
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 371.81736
Names & identifiers
- Preferred name
- 1-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzene
- IUPAC
- [4-(1,2,2,2-tetrachloroethylsulfonyl)phenyl] thiohypochlorite
Names & synonyms
16627-04-6DTXSID409371841-(Chlorosulfanyl)-4-(1,2,2,2-tetrachloroethanesulfonyl)benzeneRefChem:1054621DTXCID301365761BRN 2875735S-(1,2,2,2-Tetrachloroethyl) p-chlorobenzenethiosulfonateBenzenesulfonic acid, p-chlorothio-, S-(1,2,2,2-tetrachloroethyl) ester
Database identifiers
- CAS
16627-04-6- PubChem CID
- 204575
- DTXSID
DTXSID40937184
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
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Compound notes
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