Basic information
- CAS
57641-34-6- Standard SMILES
O=C(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1- InChIKey
POCOHBZIGLNLLJ-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2OS2
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 341.9706627
Names & identifiers
- Preferred name
- 2-Propanone, 1,3-bis((4-chlorophenyl)thio)-
- IUPAC
- 1,3-bis[(4-chlorophenyl)sulfanyl]propan-2-one
Names & synonyms
2-Propanone, 1,3-bis((4-chlorophenyl)thio)-BRN 19974531,3-Bis((4-chlorophenyl)thio)-2-propanone57641-34-6DTXSID302063314-06-00-01598 (Beilstein Handbook Reference)RefChem:265997DTXCID301288221,3-bis[(4-chlorophenyl)sulfanyl]propan-2-oneCHEMBL3273595
Database identifiers
- CAS
57641-34-6- PubChem CID
- 3044751
- DTXSID
DTXSID30206331- ChEMBL
CHEMBL3273595
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…