| CAS Number | 742104-71-8 |
| Catalog Number | AG00ICHX |
| Chemical Name | 1,4-dichloro-2-[(2-chloroethyl)sulfanyl]benzene |
| IUPAC Name | 1,4-dichloro-2-(2-chloroethylsulfanyl)benzene |
| InChI | InChI=1S/C8H7Cl3S/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5H,3-4H2 |
| InChI Key | HYFSHARHKLFQTF-UHFFFAOYSA-N |
| MDL Number | MFCD06655029 |
| Molecular Formula | C8H7Cl3S |
| Molecular Weight | 241.5652 |
| SMILES | ClCCSC1=C(Cl)C=CC(Cl)=C1 |
| Synonyms | 1,4-dichloro-2-[(2-chloroethyl)sulfanyl]benzene,
742104-71-8,
1,4-dichloro-2-[(2-chloroethyl)thio]benzene,
AC1MXTIL,
AC1Q3VC9,
CTK6H8628,
ZINC3887667,
MFCD06655029,
AKOS008024133,
MCULE-9192144687,
NE31148,
EN300-09144,
1,4-dichloro-2-(2-chloroethylsulfanyl)benzene,
ZINC03887667,
CID3771155,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.554g/mol |
| Monoisotopic Mass | 239.933g/mol |
| Rotatable Bond Count | 3 |
| 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