| CAS Number | 1105190-33-7 |
| Catalog Number | AG01ARNS(AGN-PC-0WCNNJ) |
| Chemical Name | ethyl (3-amino-4H-thieno[3,4-c]pyrazol-2(6H)-yl)acetate |
| IUPAC Name | ethyl 2-(3-amino-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)acetate |
| InChI | InChI=1S/C9H13N3O2S/c1-2-14-8(13)3-12-9(10)6-4-15-5-7(6)11-12/h2-5,10H2,1H3 |
| InChI Key | WKBCOINVIMRHES-UHFFFAOYSA-N |
| MDL Number | MFCD11986669 |
| Molecular Formula | C9H13N3O2S |
| Molecular Weight | 227.2834 |
| SMILES | NC1=C2C(=NN1CC(=O)OCC)CSC2 |
| Synonyms | ethyl (3-amino-4H-thieno[3,4-c]pyrazol-2(6H)-yl)acetate,
1105190-33-7,
ZINC26421986,
AKOS005208390,
MCULE-3194567885,
VU0494710-1,
L-3853,
F2135-0967,
ethyl 2-{3-amino-4H,6H-thieno[3,4-c]pyrazol-2-yl}acetate,
ethyl 2-{3-amino-2H,4H,6H-thieno[3,4-c]pyrazol-2-yl}acetate,
ethyl 2-(3-amino-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)acetate,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.282g/mol |
| Monoisotopic Mass | 227.073g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number