| CAS Number | 1779124-33-2 |
| Catalog Number | AG01FEXV(AGN-PC-3H4A3C) |
| Chemical Name | 2-Methoxyphenyl 1-propylsulfide |
| IUPAC Name | 1-methoxy-2-propylsulfanylbenzene |
| InChI | InChI=1S/C10H14OS/c1-3-8-12-10-7-5-4-6-9(10)11-2/h4-7H,3,8H2,1-2H3 |
| InChI Key | VCSXGOFEROODCE-UHFFFAOYSA-N |
| MDL Number | MFCD26142716 |
| Molecular Formula | C10H14OS |
| Molecular Weight | 182.2826 |
| SMILES | CCCSc1ccccc1OC |
| Synonyms | 2-Methoxyphenyl 1-propylsulfide,
1779124-33-2,
SCHEMBL10144147,
ZINC96024710,
1-METHOXY-2-(PROPYLSULFANYL)BENZENE,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.281g/mol |
| Monoisotopic Mass | 182.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number