| CAS Number | 1000394-87-5 |
| Catalog Number | AG01AFBE(AGN-PC-0WO7F1) |
| Chemical Name | (2-Methyl-1,3-thiazol-4-yl)methanesulfonyl chloride |
| IUPAC Name | (2-methyl-1,3-thiazol-4-yl)methanesulfonyl chloride |
| InChI | InChI=1S/C5H6ClNO2S2/c1-4-7-5(2-10-4)3-11(6,8)9/h2H,3H2,1H3 |
| InChI Key | IJAYMUFRRBWQPU-UHFFFAOYSA-N |
| MDL Number | MFCD16671829 |
| Molecular Formula | C5H6ClNO2S2 |
| Molecular Weight | 211.6896 |
| SMILES | CC1SC=C(CS(Cl)(=O)=O)N=1 |
| Synonyms | (2-methyl-1,3-thiazol-4-yl)methanesulfonyl chloride,
1000394-87-5,
4-Thiazolemethanesulfonyl chloride, 2-methyl-,
SCHEMBL467943,
IJAYMUFRRBWQPU-UHFFFAOYSA-N,
AKOS011362777,
ZINC100500835,
NE54086,
(2-methylthiazol-4-yl)methanesulfonyl chloride,
|
| Complexity | 223 |
| 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 | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number