| CAS Number | 1824268-79-2 |
| Catalog Number | AG01EUFA(AGN-PC-3H47IF) |
| Chemical Name | 2,6-Dichlorophenyl propyl sulfide |
| IUPAC Name | 1,3-dichloro-2-propylsulfanylbenzene |
| InChI | InChI=1S/C9H10Cl2S/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5H,2,6H2,1H3 |
| InChI Key | LYWMMUZISOQRAQ-UHFFFAOYSA-N |
| MDL Number | MFCD28126793 |
| Molecular Formula | C9H10Cl2S |
| Molecular Weight | 221.1467 |
| SMILES | S(C1C(Cl)=CC=CC=1Cl)CCC |
| Synonyms | 1,3-Dichloro-2-(propylthio)benzene,
1824268-79-2,
2,6-Dichlorophenyl propyl sulfide,
ZINC98214285,
1,3-dichloro-2-(propylsulfanyl)benzene,
|
| Complexity | 120 |
| 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 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number