1-(1-Chloro-1-phenylpropane-2-sulfinyl)-4-methylbenzene
Basic information
- CAS
61735-47-5- Standard SMILES
Cc1ccc(S(=O)C(C)C(Cl)c2ccccc2)cc1- InChIKey
GJQTXBIGYCOOQE-UHFFFAOYSA-N- Molecular formula
- C16H17ClOS
- Average molar mass
- 292.8 g/mol
- Monoisotopic mass
- 292.068864
Names & identifiers
- Preferred name
- 1-(1-Chloro-1-phenylpropane-2-sulfinyl)-4-methylbenzene
- IUPAC
- 1-(1-chloro-1-phenylpropan-2-yl)sulfinyl-4-methylbenzene
Names & synonyms
61735-47-5NSC266351CHEMBL19883771-(1-Chloro-1-phenylpropane-2-sulfinyl)-4-methylbenzeneDTXSID70313139NSC-266351NCI60_002141DS-0079171-(1-Chloro-1-phenyl-propan-2-yl)sulfinyl-4-methyl-benzene
Database identifiers
- CAS
61735-47-5- PubChem CID
- 320156
- DTXSID
DTXSID70313139- ChEMBL
CHEMBL1988377
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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