S-p-Tolyl p-toluenethiosulfinate
Basic information
- CAS
6481-73-8- Standard SMILES
Cc1ccc(SS(=O)c2ccc(C)cc2)cc1- InChIKey
DYXUFWJNNVLBRP-UHFFFAOYSA-N- Molecular formula
- C14H14OS2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.04860741
Names & identifiers
- Preferred name
- S-p-Tolyl p-toluenethiosulfinate
- IUPAC
- 1-methyl-4-(4-methylphenyl)sulfinylsulfanylbenzene
- English name
- 4-Methylbenzenethiosulfinic acid S-(4-methylphenyl) ester
- Molecular formula
- C14H14OS2
- Molecular weight
- 262.39
Names & synonyms
S-p-Tolyl p-toluenethiosulfinateBenzenesulfinothioic acid, 4-methyl-, S-(4-methylphenyl) esterDTXSID90311430p-Toluenesulfinic acid, thio-, S-p-tolyl esterRefChem:379572DTXCID10262556DYXUFWJNNVLBRP-UHFFFAOYSA-N6481-73-8NSC243183S-p-Tolyl 4-MethylbenzenesulfinothioateSCHEMBL9443799NSC-243183
Show more names
p-Tolyl(p-tolylsulfinyl) sulfide(4-Methylphenylsulfinyl)(4-methylphenyl) sulfide4-Methylbenzenethiosulfinic acid S-(4-methylphenyl) esterBenzenesulfinothioic acid, 4-methyl-, 4-methylphenyl ester4-Methylbenzenesulfinothioic acid S-(4-methylphenyl) ester
p-Toluenesulfinic acid, S-p-tolyl esterSY359043Benzenesulfinothioic acid, S-(4-methylphenyl) esterS-(4-Methylphenyl) 4-methylbenzene-1-sulfinothioateS-(4-Methylphenyl) 4-methylbenzenesulfinothioate #
Database identifiers
- CAS
6481-73-8- PubChem CID
- 316005
- DTXSID
DTXSID90311430- Nikkaji
- J141.796G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 83 · 83-84 °C
- Boiling point
- 430.903 · 430.903±48.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.269 · 1.269±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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