| CAS Number | 101079-91-8 |
| Catalog Number | AG01EQL6(AGN-PC-3H47BD) |
| Chemical Name | Ethyl 3,4-dichlorophenyl sulfide |
| IUPAC Name | 1,2-dichloro-4-ethylsulfanylbenzene |
| InChI | InChI=1S/C8H8Cl2S/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3 |
| InChI Key | MWCIQWVMHHRTPT-UHFFFAOYSA-N |
| MDL Number | MFCD11617681 |
| Molecular Formula | C8H8Cl2S |
| Molecular Weight | 207.1201 |
| SMILES | S(CC)C1C=CC(Cl)=C(Cl)C=1 |
| Synonyms | 101079-91-8,
Ethyl 3,4-dichlorophenyl sulfide,
1,2-Dichloro-4-(ethylsulfanyl)benzene,
3,4-DICHLOROPHENYL ETHYL SULFIDE,
SCHEMBL6496327,
DTXSID70741377,
ZINC95147694,
(3,4-dichlorophenyl)(ethyl)sulfane,
|
| 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