| CAS Number | 1355334-86-9 |
| Catalog Number | AG01BET5(AGN-PC-0WNNIU) |
| Chemical Name | 3-methyl-1,2-thiazole-5-sulfonyl chloride |
| IUPAC Name | 3-methyl-1,2-thiazole-5-sulfonyl chloride |
| InChI | InChI=1S/C4H4ClNO2S2/c1-3-2-4(9-6-3)10(5,7)8/h2H,1H3 |
| InChI Key | LJTRGHGACFEWIM-UHFFFAOYSA-N |
| MDL Number | MFCD21362487 |
| Molecular Formula | C4H4ClNO2S2 |
| Molecular Weight | 197.6631 |
| SMILES | CC1=NSC(S(Cl)(=O)=O)=C1 |
| Synonyms | 3-Methyl-isothiazole-5-sulfonyl chloride,
1355334-86-9,
SCHEMBL20497970,
MFCD21362487,
AKOS023207524,
ZINC100215736,
3-Methylisothiazole-5-sulfonyl chloride,
3-methyl-1,2-thiazole-5-sulfonyl chloride,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.651g/mol |
| Monoisotopic Mass | 196.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number