| CAS Number | 24599-52-8 |
| Catalog Number | AG00CCVT(AGN-PC-0JTIV3) |
| Chemical Name | Propyl P-tolyl sulfide |
| IUPAC Name | 1-methyl-4-propylsulfanylbenzene |
| InChI | InChI=1S/C10H14S/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3 |
| InChI Key | IXOMJZNGYMCDGN-UHFFFAOYSA-N |
| MDL Number | MFCD00093778 |
| Molecular Formula | C10H14S |
| Molecular Weight | 166.2832 |
| SMILES | S(CCC)C1C=CC(C)=CC=1 |
| Synonyms | Propyl p-tolyl sulfide,
24599-52-8,
1-methyl-4-propylsulfanylbenzene,
Propyl(p-tolyl)sulfane,
4-methylphenyl propyl sulfide,
1-Methyl-4-(propylsulfanyl)benzene,
Sulfide, propyl p-tolyl,
Benzene, 1-methyl-4-(propylthio)-,
n-Propyl p-cresyl sulfide,
p-Cresyl n-propyl sulfide,
AC1LC9V3,
SCHEMBL8362962,
DTXSID40344475,
IXOMJZNGYMCDGN-UHFFFAOYSA-N,
ZINC2173396,
1-Methyl-4-(propylsulfanyl)benzene #,
AKOS024324675,
MCULE-9645232326,
CID597180,
|
| Complexity | 93 |
| 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