4-isopropyl-1,2,3-thiadiazole-5-carboxylic acid - CAS 183302-68-3
Catalog: |
BB053536 |
Product Name: |
4-isopropyl-1,2,3-thiadiazole-5-carboxylic acid |
CAS: |
183302-68-3 |
Synonyms: |
4-(propan-2-yl)-1,2,3-thiadiazole-5-carboxylic acid; 4-(methylethyl)-1,2,3-thiadiazole-5-carboxylic acid |
IUPAC Name: | 4-propan-2-ylthiadiazole-5-carboxylic acid |
Molecular Weight: | 172.21 |
Molecular Formula: | C6H8N2O2S |
Canonical SMILES: | CC(C)C1=C(SN=N1)C(=O)O |
InChI: | InChI=1S/C6H8N2O2S/c1-3(2)4-5(6(9)10)11-8-7-4/h3H,1-2H3,(H,9,10) |
InChI Key: | PKBQERAJZXEWRH-UHFFFAOYSA-N |
Purity: | 95% |
Appearance: | Solid |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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