| CAS Number | 955085-16-2 |
| Catalog Number | AG01ABWJ(AGN-PC-0WO49X) |
| Chemical Name | Dimethyl-1,3-thiazole-4-sulfonyl chloride |
| IUPAC Name | 2,5-dimethyl-1,3-thiazole-4-sulfonyl chloride |
| InChI | InChI=1S/C5H6ClNO2S2/c1-3-5(11(6,8)9)7-4(2)10-3/h1-2H3 |
| InChI Key | SENSQPNCXAIZGY-UHFFFAOYSA-N |
| MDL Number | MFCD19200043 |
| Molecular Formula | C5H6ClNO2S2 |
| Molecular Weight | 211.6896 |
| SMILES | CC1SC(C)=C(S(Cl)(=O)=O)N=1 |
| Synonyms | dimethyl-1,3-thiazole-4-sulfonyl chloride,
955085-16-2,
ZINC97971478,
AKOS006334823,
NE61758,
Z1962150078,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.678g/mol |
| Monoisotopic Mass | 210.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number