| CAS Number | 99849-02-2 |
| Catalog Number | AG01F09G(AGN-PC-3H48KH) |
| Chemical Name | 2,4-Dichlorophenyl isopropyl sulfide |
| IUPAC Name | 2,4-dichloro-1-propan-2-ylsulfanylbenzene |
| InChI | InChI=1S/C9H10Cl2S/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6H,1-2H3 |
| InChI Key | WNAKNFCEFNKETQ-UHFFFAOYSA-N |
| MDL Number | MFCD25976509 |
| Molecular Formula | C9H10Cl2S |
| Molecular Weight | 221.1467 |
| SMILES | S(C1C=CC(Cl)=CC=1Cl)C(C)C |
| Synonyms | 2,4-Dichlorophenyl isopropyl sulfide,
99849-02-2,
(2,4-Dichlorophenyl)(isopropyl)sulfane,
DTXSID80856567,
ZINC95147702,
2,4-Dichloro-1-[(propan-2-yl)sulfanyl]benzene,
|
| Complexity | 139 |
| 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 | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number