| CAS Number | 1539719-37-3 |
| Catalog Number | AG01ACEF |
| Chemical Name | 3-chloro-4-(methylsulfanyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-chloro-4-methylsulfanylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6Cl2O2S2/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3 |
| InChI Key | PCZBNKRNIIFPCD-UHFFFAOYSA-N |
| MDL Number | MFCD21948499 |
| Molecular Formula | C7H6Cl2O2S2 |
| Molecular Weight | 257.1573 |
| SMILES | CSC1=C(Cl)C=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 3-chloro-4-(methylsulfanyl)benzene-1-sulfonyl chloride,
1539719-37-3,
AKOS018103740,
ZINC100489311,
NE27518,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.143g/mol |
| Monoisotopic Mass | 255.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number