5-Amino-3-methylisothiazole-4-carboxamide - CAS 41808-40-6
Catalog: |
BB074591 |
Product Name: |
5-Amino-3-methylisothiazole-4-carboxamide |
CAS: |
41808-40-6 |
Synonyms: |
5-AMINO-3-METHYLISOTHIAZOLE-4-CARBOXAMIDE; 5-amino-3-methyl-1,2-thiazole-4-carboxamide; 5-Amino-3-methyl-isothiazole-4-carboxylic acid amide; 4-Isothiazolecarboxamide, 5-amino-3-methyl- |
IUPAC Name: | 5-amino-3-methyl-1,2-thiazole-4-carboxamide |
Molecular Weight: | 157.19 |
Molecular Formula: | C5H7N3OS |
Canonical SMILES: | CC1=NSC(=C1C(=O)N)N |
InChI: | InChI=1S/C5H7N3OS/c1-2-3(4(6)9)5(7)10-8-2/h7H2,1H3,(H2,6,9) |
InChI Key: | POWWAPJPGLAMHL-UHFFFAOYSA-N |
References: | Anderson, R. C., et al. J. Heter. Chem., 12, 883 (1975). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.03098303 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.03098303 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 110Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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