Benzenesulfonic acid, thio-, S-trichlorovinyl ester
Basic information
- CAS
16627-02-4- Standard SMILES
O=S(=O)(c1cccc2c1S2)C(Cl)C(Cl)Cl- InChIKey
IKFFSQBWFKYGIO-UHFFFAOYSA-N- Molecular formula
- C8H5Cl3O2S2
- Average molar mass
- 303.6 g/mol
- Monoisotopic mass
- 301.879655
Names & identifiers
- Preferred name
- Benzenesulfonic acid, thio-, S-trichlorovinyl ester
- IUPAC
- 2-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene
- English name
- Benzenethiosulfonic acid S-(trichlorovinyl) ester
- Molecular formula
- C8H5Cl3O2S2
- Molecular weight
- 303.61
Names & synonyms
S-Trichlorovinyl benzenethiosulfonateBRN 285256616627-02-4Benzenesulfonic acid, thio-, S-trichlorovinyl esterRefChem:325612Benzenethiosulfonic acid S-(trichlorovinyl) esterDTXSID809371832-(1,2,2-trichloroethylsulfonyl)-7-thiabicyclo[4.1.0]hepta-1(6),2,4-triene2-(1,2,2-Trichloroethanesulfonyl)-7-thiabicyclo[4.1.0]hepta-1,3,5-trieneBenzenesulfonothioic acid, S-(1,2,2-trichloroethenyl) ester
Database identifiers
- CAS
16627-02-4- PubChem CID
- 204574
- DTXSID
DTXSID80937183
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 338
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Related reactions
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Compound notes
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