3-methyl-1,2,4-thiadiazole-5-carboxylic acid - CAS 859536-45-1
Catalog: |
BB037784 |
Product Name: |
3-methyl-1,2,4-thiadiazole-5-carboxylic acid |
CAS: |
859536-45-1 |
Synonyms: |
3-methyl-1,2,4-thiadiazole-5-carboxylic acid; 3-methyl-1,2,4-thiadiazole-5-carboxylic acid |
IUPAC Name: | 3-methyl-1,2,4-thiadiazole-5-carboxylic acid |
Description: | 3-methyl-1,2,4-thiadiazole-5-carboxylic acid (CAS# 859536-45-1 ) is a useful research chemical. |
Molecular Weight: | 144.148 |
Molecular Formula: | C4H4N2O2S |
Canonical SMILES: | CC1=NSC(=N1)C(=O)O |
InChI: | InChI=1S/C4H4N2O2S/c1-2-5-3(4(7)8)9-6-2/h1H3,(H,7,8) |
InChI Key: | XXFNWMYNGDPHGX-UHFFFAOYSA-N |
LogP: | 0.54470 |
Publication Number | Title | Priority Date |
AU-2006267338-A1 | Heterocycle-substituted benzimidazole derivative | 20050713 |
AU-2006267338-B2 | Heterocycle-substituted benzimidazole derivative | 20050713 |
CA-2614544-A1 | Heterocycle-substituted benzimidazole derivative | 20050713 |
CA-2614544-C | Heterocycle-substituted benzimidazole derivative | 20050713 |
EP-1905769-A1 | Heterocycle-substituted benzimidazole derivative | 20050713 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.99934855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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