| CAS Number | 1179918-36-5 |
| Catalog Number | AG018RVD(AGN-PC-0WBPT1) |
| Chemical Name | 5-Methyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 5-methyl-1H-pyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H5ClN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7) |
| InChI Key | HAIPHBVEKLIHCB-UHFFFAOYSA-N |
| MDL Number | MFCD17167103 |
| Molecular Formula | C4H5ClN2O2S |
| Molecular Weight | 180.6127 |
| SMILES | CC1=C(C=NN1)S(=O)(=O)Cl |
| Synonyms | 5-methyl-1H-pyrazole-4-sulfonyl chloride,
1179918-36-5,
3-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE,
AC1Q2ETX,
SCHEMBL2921045,
MFCD17167103,
AKOS008140075,
AKOS016016453,
ZINC100133633,
MCULE-6881409215,
AM806179,
BS-13290,
FT-0766920,
EN300-50519,
5-Methyl-1H-pyrazole-4-sulfonyl chloride, AldrichCPR,
F8880-8725,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.606g/mol |
| Monoisotopic Mass | 179.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number