Basic information
- CAS
92023-60-4- Standard SMILES
Nc1ccc(CSc2ccc(Cl)cc2)c(Cl)c1- InChIKey
JXPALVGCNKMATI-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2NS
- Average molar mass
- 284.2 g/mol
- Monoisotopic mass
- 282.9989259
Names & identifiers
- Preferred name
- 3-Chloro-4-{[(4-chlorophenyl)sulfanyl]methyl}aniline
- IUPAC
- 3-chloro-4-[(4-chlorophenyl)sulfanylmethyl]aniline
Names & synonyms
MLS00269494892023-60-4HMS3085P21NSC89475NCIOpen2_0057453-chloro-4-{[(4-chlorophenyl)sulfanyl]methyl}anilineCHEMBL1892576DTXSID60293431NSC-89475AKOS011245292SMR001560862
Database identifiers
- CAS
92023-60-4- PubChem CID
- 259503
- DTXSID
DTXSID60293431- ChEMBL
CHEMBL1892576
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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