Basic information
- CAS
88393-07-1- Standard SMILES
COC(=O)c1ccc(CSc2ccccc2)cc1- InChIKey
RZFYMLIOQNVJHF-UHFFFAOYSA-N- Molecular formula
- C15H14O2S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.07145069
Names & identifiers
- Preferred name
- Methyl 4-(phenylsulfanylmethyl)benzoate
- IUPAC
- methyl 4-(phenylsulfanylmethyl)benzoate
- English name
- Methyl 4-[(phenylthio)methyl]benzoate
- Molecular formula
- C15H14O2S
- Molecular weight
- 258.34
Names & synonyms
88393-07-1methyl 4-(phenylsulfanylmethyl)benzoatemethyl 4-[(phenylthio)methyl]benzoateNSC635192methyl 4-[(phenylsulfanyl)methyl]benzoateMethyl 4-((phenylthio)methyl)benzoateSCHEMBL3916950DTXSID40327147RZFYMLIOQNVJHF-UHFFFAOYSA-Nmethyl 4-(phenylthiomethyl)benzoateSTK709639AKOS001708963
Show more names
Benzoic acid, 4-[(phenylthio)methyl]-, methyl ester
NSC-635192ST40117304-phenylsulfanylmethylbenzoic acid methylester4-(Phenylsulfanylmethyl)benzoic Acid Methyl EsterAG-205/40028291SR-01000510041SR-01000510041-1
Database identifiers
- CAS
88393-07-1- PubChem CID
- 366566
- DTXSID
DTXSID40327147
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 394 · 394.0±35.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
3 records
Compound notes
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