| CAS Number | 915137-39-2 |
| Catalog Number | AG01BTK2 |
| Chemical Name | 5-chloro-2-methanesulfonyl-1,3-thiazole |
| IUPAC Name | 5-chloro-2-methylsulfonyl-1,3-thiazole |
| InChI | InChI=1S/C4H4ClNO2S2/c1-10(7,8)4-6-2-3(5)9-4/h2H,1H3 |
| InChI Key | ULEGZDMXFKKQAH-UHFFFAOYSA-N |
| MDL Number | MFCD28681555 |
| Molecular Formula | C4H4ClNO2S2 |
| Molecular Weight | 197.6631 |
| SMILES | CS(C1SC(Cl)=CN=1)(=O)=O |
| UNII | MYJ681ULA7 |
| Synonyms | UNII-MYJ681ULA7,
Thiazole, 5-chloro-2-(methylsulfonyl)-,
915137-39-2,
MYJ681ULA7,
5-Chloro-2-methylsulfonyl thiazole,
SCHEMBL4164063,
5-chloro-2-(methylsulfonyl)thiazole,
ZINC142707246,
5-Chloro-2-methanesulfonyl-1,3-thiazole,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number