| CAS Number | 16155-31-0 |
| Catalog Number | AG01FEQS(AGN-PC-3H5CKK) |
| Chemical Name | 2,5-Dichlorophenyl ethyl sulfide |
| IUPAC Name | 1,4-dichloro-2-ethylsulfanylbenzene |
| InChI | InChI=1S/C8H8Cl2S/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2H2,1H3 |
| InChI Key | AZOPUXWZEFZGPQ-UHFFFAOYSA-N |
| MDL Number | MFCD22483706 |
| Molecular Formula | C8H8Cl2S |
| Molecular Weight | 207.1201 |
| SMILES | CCSc1cc(Cl)ccc1Cl |
| Synonyms | 2,5-Dichlorophenyl ethyl sulfide,
16155-31-0,
(2,5-dichlorophenyl)(ethyl)sulfane,
ZINC96024769,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.112g/mol |
| Monoisotopic Mass | 205.972g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number