| CAS Number | 956571-71-4 |
| Catalog Number | AG019KJ5 |
| Chemical Name | 3-tert-Butyl-1-(1,1-dioxidotetrahydrothien-3-yl)-1h-pyrazol-5-amine |
| IUPAC Name | 5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine |
| InChI | InChI=1S/C11H19N3O2S/c1-11(2,3)9-6-10(12)14(13-9)8-4-5-17(15,16)7-8/h6,8H,4-5,7,12H2,1-3H3 |
| InChI Key | WQFAYWXQQKDDJF-UHFFFAOYSA-N |
| MDL Number | MFCD08444662 |
| Molecular Formula | C11H19N3O2S |
| Molecular Weight | 257.3525 |
| SMILES | CC(C1=NN(C2CS(=O)(=O)CC2)C(N)=C1)(C)C |
| Synonyms | 956571-71-4,
3-tert-butyl-1-(1,1-dioxidotetrahydrothien-3-yl)-1H-pyrazol-5-amine,
3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione,
AC1Q1MD4,
CTK7D5919,
MFCD08444662,
AKOS009114958,
MCULE-1843005600,
NE60324,
DB-008337,
EN300-27131,
Z228586596,
3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-1??-thiolane-1,1-dione,
3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-1lambda-thiolane-1,1-dione,
3-tert-butyl-1-(1,1-dioxidotetrahydro-3-thienyl)-1H-pyrazol-5-amine hydrocloride,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.352g/mol |
| Monoisotopic Mass | 257.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number