| CAS Number | 1286753-94-3 |
| Catalog Number | AG009GFF(AGN-PC-0WNQ3A) |
| Chemical Name | 4H-5-Thia-1,6a-diaza-pentalene-2-carboxylic acid |
| IUPAC Name | 4,6-dihydropyrazolo[1,5-c][1,3]thiazole-2-carboxylic acid |
| InChI | InChI=1S/C6H6N2O2S/c9-6(10)5-1-4-2-11-3-8(4)7-5/h1H,2-3H2,(H,9,10) |
| InChI Key | JQUZEOOLVTXZMT-UHFFFAOYSA-N |
| MDL Number | MFCD22572558 |
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.1890 |
| SMILES | OC(=O)c1nn2c(c1)CSC2 |
| Synonyms | 1286753-94-3,
4H-5-Thia-1,6a-diaza-pentalene-2-carboxylic acid,
4,6-Dihydropyrazolo[1,5-c]thiazole-2-carboxylic acid,
4H,6H-Pyrazolo[1,5-c]thiazole-2-carboxylic acid,
MFCD22572558,
AKOS025149804,
ZINC145399358,
AS-47575,
DA-12953,
CS-0062113,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.186g/mol |
| Monoisotopic Mass | 170.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number