| CAS Number | 35515-31-2 |
| Catalog Number | AG019Y4W(AGN-PC-0WCM4C) |
| Chemical Name | 1-[2-chloro-4-(methylsulfanyl)phenyl]ethan-1-one |
| IUPAC Name | 1-(2-chloro-4-methylsulfanylphenyl)ethanone |
| InChI | InChI=1S/C9H9ClOS/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3 |
| InChI Key | YZLNUKOPZVCGKW-UHFFFAOYSA-N |
| MDL Number | MFCD19981474 |
| Molecular Formula | C9H9ClOS |
| Molecular Weight | 200.6852 |
| SMILES | CSC1=CC(Cl)=C(C(C)=O)C=C1 |
| Synonyms | 1-[2-chloro-4-(methylsulfanyl)phenyl]ethan-1-one,
35515-31-2,
1-(2-Chloro-4-methylsulfanyl-phenyl)-ethanone,
SCHEMBL7867188,
MFCD19981474,
ZINC70203743,
AKOS011066659,
MCULE-1687241959,
NE20233,
1-(2-Chloro-4-methylsulfanylphenyl)ethanone,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.68g/mol |
| Monoisotopic Mass | 200.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number