| CAS Number | 24767-95-1 |
| Catalog Number | AG01FFKT(AGN-PC-0JTIV4) |
| Chemical Name | Propyl m-tolylsulfide |
| IUPAC Name | 1-methyl-3-propylsulfanylbenzene |
| InChI | InChI=1S/C10H14S/c1-3-7-11-10-6-4-5-9(2)8-10/h4-6,8H,3,7H2,1-2H3 |
| InChI Key | SPCYGDGCRULHKC-UHFFFAOYSA-N |
| MDL Number | MFCD26142714 |
| Molecular Formula | C10H14S |
| Molecular Weight | 166.2832 |
| SMILES | CCCSc1cccc(c1)C |
| Synonyms | Propyl m-tolylsulfide,
24767-95-1,
Sulfide, propyl m-tolyl,
Propyl m-tolyl sulfide,
AC1LC9V5,
SCHEMBL10144174,
1-methyl-3-propylsulfanylbenzene,
SPCYGDGCRULHKC-UHFFFAOYSA-N,
1-Methyl-3-(propylsulfanyl)benzene,
ZINC32206086,
1-Methyl-3-(propylsulfanyl)benzene #,
CID597181,
|
| 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 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number