| CAS Number | 99847-96-8 |
| Catalog Number | AG01F09F(AGN-PC-3H48KG) |
| Chemical Name | (2,5-Dichlorophenyl)(isopropyl)sulfane |
| IUPAC Name | 1,4-dichloro-2-propan-2-ylsulfanylbenzene |
| InChI | InChI=1S/C9H10Cl2S/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3 |
| InChI Key | DFHXDYLMFUEEFD-UHFFFAOYSA-N |
| MDL Number | MFCD26792636 |
| Molecular Formula | C9H10Cl2S |
| Molecular Weight | 221.1467 |
| SMILES | S(C1C=C(Cl)C=CC=1Cl)C(C)C |
| Synonyms | 2,5-Dichlorophenyl isopropyl sulfide,
99847-96-8,
(2,5-Dichlorophenyl)(isopropyl)sulfane,
ZINC96024760,
1,4-dichloro-2-(propan-2-ylsulfanyl)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
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