| CAS Number | 60036-45-5 |
| Catalog Number | AG01AG07(AGN-PC-0NISEC) |
| Chemical Name | 2-(Methylsulfanyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-methylsulfanylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H7ClO2S2/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3 |
| InChI Key | ALICADXOSCQKJD-UHFFFAOYSA-N |
| MDL Number | MFCD09734421 |
| Molecular Formula | C7H7ClO2S2 |
| Molecular Weight | 222.7123 |
| SMILES | CSC1=C(S(Cl)(=O)=O)C=CC=C1 |
| Synonyms | 2-(methylsulfanyl)benzene-1-sulfonyl chloride,
60036-45-5,
2-Methylsulfanylbenzenesulfonyl chloride,
SCHEMBL1501079,
CTK2F1635,
DTXSID70494750,
AKOS009145527,
ZINC100503076,
NE35777,
Benzenesulfonyl chloride, 2-(methylthio)-,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.701g/mol |
| Monoisotopic Mass | 221.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number