| CAS Number | 1174871-55-6 |
| Catalog Number | AG00J2O0(AGN-PC-0WB62K) |
| Chemical Name | 1-Isopropyl-1H-pyrazole-5-sulfonyl chloride |
| IUPAC Name | 2-propan-2-ylpyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C6H9ClN2O2S/c1-5(2)9-6(3-4-8-9)12(7,10)11/h3-5H,1-2H3 |
| InChI Key | APESRGNGHCTUQZ-UHFFFAOYSA-N |
| MDL Number | MFCD12548039 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | C1(=CC=NN1C(C)C)S(Cl)(=O)=O |
| Synonyms | 1-isopropyl-1H-pyrazole-5-sulfonyl chloride,
1174871-55-6,
SCHEMBL17850533,
MFCD12548039,
SBB027105,
AKOS005168952,
ZINC100294680,
MCULE-2763813464,
chloro[1-(methylethyl)pyrazol-5-yl]sulfone,
Y-7205,
1-(propan-2-yl)-1H-pyrazole-5-sulfonyl chloride,
1-Isopropyl-1H-pyrazole-5-sulfonyl chloride, AldrichCPR,
2-propan-2-ylpyrazole-3-sulfonyl chloride,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number