2,1,3-Benzothiadiazole-5-carboxylic acid - CAS 16405-98-4
Catalog: |
BB012071 |
Product Name: |
2,1,3-Benzothiadiazole-5-carboxylic acid |
CAS: |
16405-98-4 |
Synonyms: |
2,1,3-benzothiadiazole-5-carboxylic acid; 2,1,3-benzothiadiazole-5-carboxylic acid |
IUPAC Name: | 2,1,3-benzothiadiazole-5-carboxylic acid |
Description: | 2,1,3-Benzothiadiazole-5-carboxylic acid (CAS# 16405-98-4) is a useful research chemical. |
Molecular Weight: | 180.18 |
Molecular Formula: | C7H4N2O2S |
Canonical SMILES: | C1=CC2=NSN=C2C=C1C(=O)O |
InChI: | InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11) |
InChI Key: | YHMXJZVGBCACMT-UHFFFAOYSA-N |
Boiling Point: | 368.7 °C at 760 mmHg |
Melting Point: | 229 °C |
Purity: | 95 % |
Density: | 1.608 g/cm3 |
Appearance: | Off white solid |
LogP: | 1.38950 |
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 |
WO-2020191261-A1 | Indazoles as lrrk2 inhibitors | 20190321 |
WO-2020094156-A1 | Diheterocycle-substituted pyridine-2(1h)-ketone derivative, preparation method therefore and pharmaceutical use thereof | 20181111 |
CN-111727186-A | Biheterocyclic substituted pyridine-2 (1H) -ketone derivative, preparation method and medical application thereof | 20181111 |
CA-3051419-A1 | Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof | 20180817 |
US-2020055871-A1 | Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof | 20180817 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.99934855 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.99934855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS