| CAS Number | 101080-66-4 |
| Catalog Number | AG00KT6O(AGN-PC-3H455L) |
| Chemical Name | 2,4-Dichlorophenyl ethyl sulfide |
| IUPAC Name | 2,4-dichloro-1-ethylsulfanylbenzene |
| InChI | InChI=1S/C8H8Cl2S/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3 |
| InChI Key | GWJCIDFUIHOJHT-UHFFFAOYSA-N |
| MDL Number | MFCD25976514 |
| Molecular Formula | C8H8Cl2S |
| Molecular Weight | 207.1201 |
| SMILES | C1(SCC)C=CC(Cl)=CC=1Cl |
| Synonyms | 2,4-Dichlorophenyl ethyl sulfide,
101080-66-4,
2,4-Dichloro-1-(ethylsulfanyl)benzene,
SCHEMBL18793099,
DTXSID50710066,
ZINC95147709,
AKOS026671404,
|
| 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 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number