| CAS Number | 1245820-90-9 |
| Catalog Number | AG00J2PA(AGN-PC-0WB61I) |
| Chemical Name | 1,3-Dimethyl-1H-pyrazole-5-sulfonyl chloride |
| IUPAC Name | 2,5-dimethylpyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C5H7ClN2O2S/c1-4-3-5(8(2)7-4)11(6,9)10/h3H,1-2H3 |
| InChI Key | FYLQOSUXOCPQGB-UHFFFAOYSA-N |
| MDL Number | MFCD15976435 |
| Molecular Formula | C5H7ClN2O2S |
| Molecular Weight | 194.6393 |
| SMILES | C1(=CC(=NN1C)C)S(Cl)(=O)=O |
| Synonyms | 1,3-dimethyl-1H-pyrazole-5-sulfonyl chloride,
1245820-90-9,
SCHEMBL16030986,
ZX-CM010327,
MFCD15976435,
SBB073434,
AKOS005169272,
ZINC100294946,
MCULE-5772569799,
(1,3-dimethylpyrazol-5-yl)chlorosulfone,
FT-0760534,
EN300-232475,
Y-7627,
1,3-Dimethyl-1H-pyrazole-5-sulfonyl chloride, AldrichCPR,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.633g/mol |
| Monoisotopic Mass | 193.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number