Benzhydryl 4-methylbenzenesulfonate
Basic information
- CAS
5435-24-5- Standard SMILES
Cc1ccc(S(=O)(=O)OC(c2ccccc2)c2ccccc2)cc1- InChIKey
IKNSIYSFOKPVBU-UHFFFAOYSA-N- Molecular formula
- C20H18O3S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.09766561
Names & identifiers
- Preferred name
- Benzhydryl 4-methylbenzenesulfonate
- IUPAC
- benzhydryl 4-methylbenzenesulfonate
- English name
- Tamoxifen Impurity 3
- Molecular formula
- C20H18O3S
- Molecular weight
- 338.42
Names & synonyms
Benzhydryl 4-methylbenzenesulfonate5435-24-5NSC 20251DTXSID20202726RefChem:325725DTXCID50125217diphenylmethyl 4-methylbenzene-1-sulfonateNSC20251Tamoxifen Impurity 11benzhydryl p-toluenesulfonateSCHEMBL6762680NSC-20251
Show more names
Tamoxifen Impurity 3Tamoxifen Impurity 19Tamoxifen Impurity 10Tamoxifen Citrate Impurity 16Benzenemethanol, α-phenyl-, 1-(4-methylbenzenesulfonate)Remdesivir Impurity 41Q: What is Remdesivir Impurity 41 Q: What is the CAS Number of Remdesivir Impurity 41
1-Benzhydryloxysulfonyl-4-methyl-benzeneDS-008601EN300-22858182
Database identifiers
- CAS
5435-24-5- PubChem CID
- 227987
- DTXSID
DTXSID20202726
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Boiling point
- 180 · 180-195 °C(Press: 5 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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