| CAS Number | 99849-03-3 |
| Catalog Number | AG01F09H(AGN-PC-3H48KI) |
| Chemical Name | 2,4-Dichlorophenyl propylsulfide |
| IUPAC Name | 2,4-dichloro-1-propylsulfanylbenzene |
| InChI | InChI=1S/C9H10Cl2S/c1-2-5-12-9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3 |
| InChI Key | DYCRATRCRRRDMH-UHFFFAOYSA-N |
| MDL Number | MFCD25976516 |
| Molecular Formula | C9H10Cl2S |
| Molecular Weight | 221.1467 |
| SMILES | C1(SCCC)C=CC(Cl)=CC=1Cl |
| Synonyms | 2,4-Dichlorophenyl propylsulfide,
99849-03-3,
DTXSID10856570,
ZINC95147712,
2,4-Dichloro-1-(propylsulfanyl)benzene,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.139g/mol |
| Monoisotopic Mass | 219.988g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number