Benzo[c][1,2,5]thiadiazole-4-carboxylic Acid - CAS 3529-57-5
Catalog: |
BB022597 |
Product Name: |
Benzo[c][1,2,5]thiadiazole-4-carboxylic Acid |
CAS: |
3529-57-5 |
Synonyms: |
2,1,3-benzothiadiazole-4-carboxylic acid; 2,1,3-benzothiadiazole-4-carboxylic acid |
IUPAC Name: | 2,1,3-benzothiadiazole-4-carboxylic acid |
Description: | Benzo[c][1,2,5]thiadiazole-4-carboxylic Acid (CAS# 3529-57-5) is a useful research chemical. |
Molecular Weight: | 180.18 |
Molecular Formula: | C7H4N2O2S |
Canonical SMILES: | C1=CC2=NSN=C2C(=C1)C(=O)O |
InChI: | InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3H,(H,10,11) |
InChI Key: | ZGDGZMOKXTUMEV-UHFFFAOYSA-N |
Boiling Point: | 368.7 °C at 760 mmHg |
Density: | 1.608 g/cm3 |
MDL: | MFCD05664666 |
LogP: | 1.38950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2018155333-A1 | Heterocyclic Compound | 20150424 |
US-2012232052-A1 | Aryl carboxamide derivatives as ttx-s blockers | 20091116 |
US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | 20091116 |
US-2011105491-A1 | Thiazolidine compounds as orexin receptor antagonists | 20080707 |
WO-2010004507-A1 | Thiazolidine compounds as orexin receptor antagonists | 20080707 |
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 |
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