Basic information
- CAS
502484-70-0- Standard SMILES
CSc1ccc(C(=O)CCl)c(C)c1- InChIKey
JEOZMNKEIHIBFJ-UHFFFAOYSA-N- Molecular formula
- C10H11ClOS
- Average molar mass
- 214.71 g/mol
- Monoisotopic mass
- 214.0219138
Names & identifiers
- Preferred name
- 2-Chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanone
- IUPAC
- 2-chloro-1-(2-methyl-4-methylsulfanylphenyl)ethanone
- English name
- Ethanone, 2-chloro-1-[2-methyl-4-(methylthio)phenyl]- (9CI)
- Molecular formula
- C10H11ClOS
- Molecular weight
- 214.71
Names & synonyms
502484-70-02-chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethanoneNSC100934NCIOpen2_006735DTXSID20295279Ethanone, 2-chloro-1-[2-methyl-4-(methylthio)phenyl]- (9CI)NSC-1009342-Chloro-1-[2-methyl-4-(methylsulfanyl)phenyl]ethan-1-oneEthanone, 2-chloro-1-[2-methyl-4-(methylthio)phenyl]-
Database identifiers
- CAS
502484-70-0- PubChem CID
- 265122
- DTXSID
DTXSID20295279
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…