3-Amino-4-isothiazolecarboxylic Acid - CAS 920459-08-1
Catalog: |
BB074724 |
Product Name: |
3-Amino-4-isothiazolecarboxylic Acid |
CAS: |
920459-08-1 |
Synonyms: |
3-amino-4-isothiazolecarboxylic acid; 3-aminoisothiazole-4-carboxylic acid; 3-amino-1,2-thiazole-4-carboxylic acid; 3-aminoisothiazole-4-carboxylicacid |
IUPAC Name: | 3-amino-1,2-thiazole-4-carboxylic acid |
Molecular Weight: | 144.15 |
Molecular Formula: | C4H4N2O2S |
Canonical SMILES: | C1=C(C(=NS1)N)C(=O)O |
InChI: | InChI=1S/C4H4N2O2S/c5-3-2(4(7)8)1-9-6-3/h1H,(H2,5,6)(H,7,8) |
InChI Key: | UOLLMKJGLPMRAD-UHFFFAOYSA-N |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.99934855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 104Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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