| CAS Number | 158321-96-1 |
| Catalog Number | AG01FEQQ(AGN-PC-3H4A2O) |
| Chemical Name | 2,5-Dimethylphenyl ethyl sulfide |
| IUPAC Name | 2-ethylsulfanyl-1,4-dimethylbenzene |
| InChI | InChI=1S/C10H14S/c1-4-11-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3 |
| InChI Key | VOMQKRNXLZHQKS-UHFFFAOYSA-N |
| MDL Number | MFCD11617738 |
| Molecular Formula | C10H14S |
| Molecular Weight | 166.2832 |
| SMILES | CCSc1cc(C)ccc1C |
| Synonyms | 2,5-Dimethylphenyl ethyl sulfide,
158321-96-1,
ZINC95729770,
AKOS006242919,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.282g/mol |
| Monoisotopic Mass | 166.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number