4-Methyl-1,2,3-thiadiazole-5-carboxylic acid - CAS 18212-21-0
Catalog: |
BB013873 |
Product Name: |
4-Methyl-1,2,3-thiadiazole-5-carboxylic acid |
CAS: |
18212-21-0 |
Synonyms: |
4-methylthiadiazole-5-carboxylic acid |
IUPAC Name: | 4-methylthiadiazole-5-carboxylic acid |
Description: | 4-Methyl-1,2,3-thiadiazole-5-carboxylic Acid can be used as agrochemical antiviral agents, fungicides, and insecticides. |
Molecular Weight: | 144.15 |
Molecular Formula: | C4H4N2O2S |
Canonical SMILES: | CC1=C(SN=N1)C(=O)O |
InChI: | InChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8) |
InChI Key: | NHHQOYLPBUYHQU-UHFFFAOYSA-N |
Boiling Point: | 166 °C |
Melting Point: | 166-169 °C |
Purity: | 98 % |
Density: | 1.531 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD00173830 |
LogP: | 0.54470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480555-A | Lignan compound containing 3, 7-dioxabicyclo [3,3,0] octane structure as well as preparation method and application thereof | 20210811 |
CN-113480466-A | Indole substituted amide compound and preparation method and application thereof | 20210624 |
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CN-112552169-A | Crocetin diester compound and preparation method and application thereof | 20201208 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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