| CAS Number | 1291490-19-1 |
| Catalog Number | AG01DV7B |
| Chemical Name | 4-methyl-2-propanamido-1,3-thiazole-5-sulfonyl chloride |
| IUPAC Name | 4-methyl-2-(propanoylamino)-1,3-thiazole-5-sulfonyl chloride |
| InChI | InChI=1S/C7H9ClN2O3S2/c1-3-5(11)10-7-9-4(2)6(14-7)15(8,12)13/h3H2,1-2H3,(H,9,10,11) |
| InChI Key | YMVUJYBFHHOJHS-UHFFFAOYSA-N |
| MDL Number | MFCD18838395 |
| Molecular Formula | C7H9ClN2O3S2 |
| Molecular Weight | 268.7410 |
| SMILES | CCC(NC1SC(S(Cl)(=O)=O)=C(C)N=1)=O |
| Synonyms | 4-methyl-2-propanamido-1,3-thiazole-5-sulfonyl chloride,
1291490-19-1,
AKOS013262242,
ZINC103603677,
NS-04293,
4-Methyl-2-propionylamino-thiazole-5-sulfonyl chloride,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.73g/mol |
| Monoisotopic Mass | 267.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number