| CAS Number | 1156916-83-4 |
| Catalog Number | AG01AH6G(AGN-PC-0WO0YY) |
| Chemical Name | 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-tert-butyl-3,5-dimethylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C9H15ClN2O2S/c1-6-8(15(10,13)14)7(2)12(11-6)9(3,4)5/h1-5H3 |
| InChI Key | SYPWLWGKWIMAOE-UHFFFAOYSA-N |
| MDL Number | MFCD12192704 |
| Molecular Formula | C9H15ClN2O2S |
| Molecular Weight | 250.7456 |
| SMILES | CC1C(S(Cl)(=O)=O)=C(C)N(C(C)(C)C)N=1 |
| Synonyms | 1-tert-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride,
1156916-83-4,
SCHEMBL4126301,
SYPWLWGKWIMAOE-UHFFFAOYSA-N,
ZINC59312440,
AKOS009582006,
NE53292,
EN300-73830,
F2158-1812,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.741g/mol |
| Monoisotopic Mass | 250.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number