| CAS Number | 32467-74-6 |
| Catalog Number | AG01A7WT |
| Chemical Name | 1-[3-Methoxy-4-(methylsulfanyl)phenyl]ethan-1-one |
| IUPAC Name | 1-(3-methoxy-4-methylsulfanylphenyl)ethanone |
| InChI | InChI=1S/C10H12O2S/c1-7(11)8-4-5-10(13-3)9(6-8)12-2/h4-6H,1-3H3 |
| InChI Key | QZQBQPARTIDLKX-UHFFFAOYSA-N |
| MDL Number | MFCD15209556 |
| Molecular Formula | C10H12O2S |
| Molecular Weight | 196.2661 |
| SMILES | COC1=C(SC)C=CC(C(C)=O)=C1 |
| Synonyms | 1-[3-methoxy-4-(methylsulfanyl)phenyl]ethan-1-one,
32467-74-6,
AC1Q47AO,
SCHEMBL11808062,
CTK6J7707,
ZINC47843735,
AKOS034748231,
MCULE-3186088140,
NE28356,
EN300-60027,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.264g/mol |
| Monoisotopic Mass | 196.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number