Basic information
- CAS
23080-22-0- Standard SMILES
Cc1ccc(C(=O)CSCC(=O)c2ccc(C)cc2)cc1- InChIKey
KPEQAIKDILGKSR-UHFFFAOYSA-N- Molecular formula
- C18H18O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.10275099
Names & identifiers
- Preferred name
- Bis(4-methylphenacyl) sulfide
- IUPAC
- 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylethanone
- English name
- 2-(2-OXO-2-P-TOLYL-ETHYLSULFANYL)-1-P-TOLYL-ETHANONE
- Molecular formula
- C18H18O2S
- Molecular weight
- 0
Names & synonyms
Bis(4-methylphenacyl) sulfide23080-22-01-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylethanoneNSC343532DTXSID70319292CCG-234358NSC-343532DS-007629Ethanone,2,2-thiobis[1-(4-methylphenyl)-2,2'-Sulfanediylbis[1-(4-methylphenyl)ethan-1-one]bis(2-(4-methylphenyl)ethanonyl)sulfide2-(2-OXO-2-P-TOLYL-ETHYLSULFANYL)-1-P-TOLYL-ETHANONE
Database identifiers
- CAS
23080-22-0- PubChem CID
- 335151
- DTXSID
DTXSID70319292- Nikkaji
- J2.506.424K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…