| CAS Number | 33733-78-7 |
| Catalog Number | AG00M5QJ(AGN-PC-00LP12) |
| Chemical Name | 4-Ethoxyphenyl methyl sulfide |
| IUPAC Name | 1-ethoxy-4-methylsulfanylbenzene |
| InChI | InChI=1S/C9H12OS/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7H,3H2,1-2H3 |
| InChI Key | ATNWTYVWEKJQTK-UHFFFAOYSA-N |
| MDL Number | MFCD11617791 |
| Molecular Formula | C9H12OS |
| Molecular Weight | 168.2560 |
| SMILES | S(C1C=CC(OCC)=CC=1)C |
| Synonyms | 4-Ethoxyphenyl methyl sulfide,
1-ethoxy-4-(methylsulfanyl)benzene,
33733-78-7,
SCHEMBL6972139,
ZINC39434861,
AKOS006241454,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.254g/mol |
| Monoisotopic Mass | 168.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number