1,2,3-thiadiazole-4-carboxylic acid - CAS 4100-13-4
Catalog: |
BB024744 |
Product Name: |
1,2,3-thiadiazole-4-carboxylic acid |
CAS: |
4100-13-4 |
Synonyms: |
4-thiadiazolecarboxylic acid; thiadiazole-4-carboxylic acid |
IUPAC Name: | thiadiazole-4-carboxylic acid |
Description: | 1,2,3-thiadiazole-4-carboxylic acid (CAS# 4100-13-4) is a useful research chemical, an active pharmaceutical intermediate. |
Molecular Weight: | 130.13 |
Molecular Formula: | C3H2N2O2S |
Canonical SMILES: | C1=C(N=NS1)C(=O)O |
InChI: | InChI=1S/C3H2N2O2S/c6-3(7)2-1-8-5-4-2/h1H,(H,6,7) |
InChI Key: | HJZYBDPHAHGHAZ-UHFFFAOYSA-N |
Boiling Point: | 322.3 °C at 760 mmHg |
Density: | 1.67 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD00052099 |
LogP: | 0.23630 |
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 |
US-2021214701-A1 | Modified cleavases, uses thereof and related kits | 20190326 |
WO-2019245910-A1 | Triazine compounds and uses thereof | 20180622 |
EP-3810600-A1 | Triazine compounds and uses thereof | 20180622 |
US-2021246122-A1 | Triazine Compounds and Uses Thereof | 20180622 |
EP-3674052-A1 | Method for producing metal-polymer resin conjugate | 20170825 |
PMID | Publication Date | Title | Journal |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
15455162 | 20041007 | Attempted reduction of 1,2,3-thiadiazole-4-carboxylates with samarium/iodine in methanol. Unexpected ring enlargement to 1,2,5-trithiepan-4,6-dicarboxylates | Organic & biomolecular chemistry |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.98369848 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.98369848 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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