| CAS Number | 90927-72-3 |
| Catalog Number | AG01EZ03(AGN-PC-3H48J0) |
| Chemical Name | 1-Ethyl-2-(ethylthio)benzene |
| IUPAC Name | 1-ethyl-2-ethylsulfanylbenzene |
| InChI | InChI=1S/C10H14S/c1-3-9-7-5-6-8-10(9)11-4-2/h5-8H,3-4H2,1-2H3 |
| InChI Key | HPAJKAYFKLXAFZ-UHFFFAOYSA-N |
| MDL Number | MFCD00040056 |
| Molecular Formula | C10H14S |
| Molecular Weight | 166.2832 |
| SMILES | C1(CC)C=CC=CC=1SCC |
| Synonyms | 1-Ethyl-2-(ethylthio)benzene,
1-Ethyl-2-(ethylsulfanyl)benzene,
90927-72-3,
SCHEMBL14507031,
DTXSID10558906,
ZINC34273461,
AKOS006272055,
2-Ethylphenyl ethyl sulfide,
|
| Complexity | 101 |
| 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 | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number