Basic information
- CAS
16626-99-6- Standard SMILES
CS(=O)(=O)SC(Cl)=C(Cl)Cl- InChIKey
INOFEPBGTAZLCY-UHFFFAOYSA-N- Molecular formula
- C3H3Cl3O2S2
- Average molar mass
- 241.5 g/mol
- Monoisotopic mass
- 239.864005
Names & identifiers
- Preferred name
- Methanesulfonic acid, thio-, S-trichlorovinyl ester
- IUPAC
- 1,1,2-trichloro-2-methylsulfonylsulfanylethene
- English name
- Methanethiosulfonic acid S-(trichloroethenyl) ester
- Molecular formula
- C3H3Cl3O2S2
- Molecular weight
- 241.54
Names & synonyms
16626-99-6Methanethiosulfonic acid S-trichlorovinyl esterBRN 1865140Methanesulfonic acid, thio-, S-trichlorovinyl esterDTXSID70168085RefChem:352366DTXCID20905761,1,2-trichloro-2-methylsulfonylsulfanyletheneMethanethiosulfonic acid S-(trichloroethenyl) esterS-(1,2,2-Trichloroethen-1-yl) methanesulfonothioateMethanesulfonothioic acid, S-(1,2,2-trichloroethenyl) ester
Database identifiers
- CAS
16626-99-6- PubChem CID
- 204573
- DTXSID
DTXSID70168085- Nikkaji
- J41.682G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 277.3 · 277.3±50.0 °C(Predicted)
- Density
- 1.72 · 1.720±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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