Basic information
- CAS
1208-20-4- Standard SMILES
O=S(Sc1ccccc1)c1ccccc1- InChIKey
POUBOKBBBIVWSL-UHFFFAOYSA-N- Molecular formula
- C12H10OS2
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.01730729
Overview
structure given in first soource
Names & identifiers
- Preferred name
- Diphenylthiosulfinate
- IUPAC
- benzenesulfinylsulfanylbenzene
- English name
- diphenylthiosulfinate
- Molecular formula
- C12H10OS2
- Molecular weight
- 234.34
Names & synonyms
Diphenylthiosulfinate1208-20-4phenyl benzenethiosulfinateRefChem:920418DPTSS-Phenyl benzenesulfinothioateBenzenesulfinothioic acid, S-phenyl ester(-)-S-Phenyl benzenesulfinothioatePhenyl benzenethiolsulfinate133670-27-6Benzenesulfinic acid, thio-, S-phenyl esterPhenyl benzene-thiosulfinate
Show more names
DIPHENYLTHIOSULPHINATEPhenyl(phenylthio) sulfoxideS-Phenyl benzenethiosulfinatephenylsulfanylsulfinylbenzenePhenyl(phenylsulfinyl) sulfideBenzenesulfinothioic acid, phenyl esterBenzenesulfinothioic acid S-phenyl ester
phenylsulfanylsulfinyl-benzeneSCHEMBL6930419S-Phenyl benzenesulfinothioate #NSC58814Benzenesulfinic acid, S-phenyl esterNSC 58814NSC-58814Benzenethiosulphinic acid S-phenyl ester
Database identifiers
- CAS
1208-20-4- PubChem CID
- 71019
- Nikkaji
- J141.797E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 407.3 · 407.3±28.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
Related reactions
1 records
Compound notes
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