S-(4-Methylphenyl) benzenecarbothioate
Basic information
- CAS
10371-42-3- Standard SMILES
Cc1ccc(SC(=O)c2ccccc2)cc1- InChIKey
KMGHFAGCHUDSMG-UHFFFAOYSA-N- Molecular formula
- C14H12OS
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.06088618
Names & identifiers
- Preferred name
- S-(4-Methylphenyl) benzenecarbothioate
- IUPAC
- S-(4-methylphenyl) benzenecarbothioate
- English name
- Thiobenzoic acid S-(4-methylphenyl)
- Molecular formula
- C14H12OS
- Molecular weight
- 228.31
Names & synonyms
S-(4-methylphenyl) benzenecarbothioate10371-42-3BENZOIC ACID, THIO-, S-(p-TOLYL) ESTERDTXSID90146027RefChem:1098231DTXCID1068518Thiobenzoic acid S-(4-methylphenyl)THIOBENZOIC ACID S-P-TOLYL ESTERS-(p-Tolyl) thiobenzoateBRN 2049264S-(p-tolyl) benzothioateSCHEMBL5696801
Show more names
S-p-tolyl benzothioate4-Methyl-1-(benzoylthio)benzeneS-(4-Methylphenyl)=benzenecarbothioateBenzenecarbothioic acid, S-(4-methylphenyl) ester
SCHEMBL98718014-methylphenylthio phenyl ketoneS-(4-Methylphenyl) thiobenzoatethiobenzoic acid S-(p-tolyl) esterSTK701859AKOS002161601NCGC00339055-01ST45188278
Database identifiers
- CAS
10371-42-3- PubChem CID
- 25207
- DTXSID
DTXSID90146027- Nikkaji
- J42.025E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 336.7 · 336.7±25.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
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Compound notes
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