| CAS Number | 956769-05-4 |
| Catalog Number | AG019PPR |
| Chemical Name | 2-Chloro-n-[1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1h-pyrazol-5-yl]acetamide |
| IUPAC Name | 2-chloro-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide |
| InChI | InChI=1S/C10H14ClN3O3S/c1-7-4-9(12-10(15)5-11)14(13-7)8-2-3-18(16,17)6-8/h4,8H,2-3,5-6H2,1H3,(H,12,15) |
| InChI Key | WITNVVASPPNSHW-UHFFFAOYSA-N |
| MDL Number | MFCD09383879 |
| Molecular Formula | C10H14ClN3O3S |
| Molecular Weight | 291.7545 |
| SMILES | CC1=NN(C2CS(=O)(=O)CC2)C(NC(CCl)=O)=C1 |
| Synonyms | 956769-05-4,
2-chloro-N-[1-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]acetamide,
2-chloro-N-[1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazol-5-yl]acetamide,
AC1Q2PSQ,
CTK6H5410,
AKOS009096392,
MCULE-3428935040,
NE18244,
EN300-24675,
Z235344857,
2-chloro-N-[1-(1,1-dioxo-1??-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]acetamide,
2-chloro-N-[1-(1,1-dioxo-1lambda-thiolan-3-yl)-3-methyl-1H-pyrazol-5-yl]acetamide,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.75g/mol |
| Monoisotopic Mass | 291.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number