Basic information
- CAS
91527-91-2- Standard SMILES
CC(=O)c1cc(Cl)ccc1Sc1ccc(C(C)C)cc1- InChIKey
NULCEELOKIFALL-UHFFFAOYSA-N- Molecular formula
- C17H17ClOS
- Average molar mass
- 304.8 g/mol
- Monoisotopic mass
- 304.068864
Names & identifiers
- Preferred name
- Ethanone, 1-[5-chloro-2-[[4-(1-methylethyl)phenyl]thio]phenyl]-
- IUPAC
- 1-[5-chloro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanone
- English name
- 1-{5-chloro-2-[(4-isopropylphenyl)sulfanyl]phenyl}ethanone
- Molecular formula
- C17H17ClOS
- Molecular weight
- 304.83428
Names & synonyms
91527-91-2Ethanone, 1-[5-chloro-2-[[4-(1-methylethyl)phenyl]thio]phenyl]-1-[5-chloro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanoneNULCEELOKIFALL-UHFFFAOYSA-NDTXSID703478981-{5-chloro-2-[(4-isopropylphenyl)sulfanyl]phenyl}ethanoneAE-641/00133005Ethanone, 1-[5-chloro-2-(4-isopropylphenylthio)phenyl]-1-(5-Chloro-2-[(4-isopropylphenyl)sulfanyl]phenyl)ethanone #Ethanone, 1-[5-chloro-2-[4-(1-methylethyl)phenylthio]phenyl]-1-(5-Chloro-2-{[4-(propan-2-yl)phenyl]sulfanyl}phenyl)ethan-1-one
Database identifiers
- CAS
91527-91-2- PubChem CID
- 627652
- DTXSID
DTXSID70347898
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…