1,2,5-Thiadiazole-3-carboxylic Acid - CAS 13368-86-0
Catalog: |
BB007796 |
Product Name: |
1,2,5-Thiadiazole-3-carboxylic Acid |
CAS: |
13368-86-0 |
Synonyms: |
1,2,5-thiadiazole-3-carboxylic acid; 1,2,5-thiadiazole-3-carboxylic acid |
IUPAC Name: | 1,2,5-thiadiazole-3-carboxylic acid |
Description: | 1,2,5-Thiadiazole-3-carboxylic Acid (CAS# 13368-86-0) is a useful research chemical. |
Molecular Weight: | 130.13 |
Molecular Formula: | C3H2N2O2S |
Canonical SMILES: | C1=NSN=C1C(=O)O |
InChI: | InChI=1S/C3H2N2O2S/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7) |
InChI Key: | GFTBMBHVZZFGCK-UHFFFAOYSA-N |
Boiling Point: | 292.8 °C at 760 mmHg |
Density: | 1.67 g/cm3 |
LogP: | 0.23630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
EP-2424869-A1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | 20090429 |
US-2012157436-A1 | 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS | 20090429 |
PMID | Publication Date | Title | Journal |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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