5-chloro-1,3-benzothiazole-2-carboxylic acid - CAS 3507-53-7
Catalog: |
BB022412 |
Product Name: |
5-chloro-1,3-benzothiazole-2-carboxylic acid |
CAS: |
3507-53-7 |
Synonyms: |
5-chloro-1,3-benzothiazole-2-carboxylic acid; 5-chloro-1,3-benzothiazole-2-carboxylic acid |
IUPAC Name: | 5-chloro-1,3-benzothiazole-2-carboxylic acid |
Description: | 5-Chloro-2-Benzothiazolecarboxylic Acid Sodium Salt acts as a reagent in the preparation of amino acid biarylsulfonamides as metalloproteinase inhibitors. Reagent for synthesis and characterization of benzothiazoles. |
Molecular Weight: | 213.635 |
Molecular Formula: | C8H4ClNO2S |
Canonical SMILES: | C1=CC2=C(C=C1Cl)N=C(S2)C(=O)O |
InChI: | InChI=1S/C8H4ClNO2S/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12) |
InChI Key: | TZCPBIKLIIUHTD-UHFFFAOYSA-N |
Boiling Point: | 411.7 °C at 760 mmHg |
Density: | 1.634 g/cm3 |
Appearance: | Solid |
LogP: | 2.64790 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020101047-A1 | Inhibitors of integrated stress response pathway | 20180605 |
WO-2019236710-A1 | Inhibitors of integrated stress response pathway | 20180605 |
AU-2019282253-A1 | Inhibitors of integrated stress response pathway | 20180605 |
BR-112020023115-A2 | integrated voltage response pathway inhibitors | 20180605 |
EP-3801522-A1 | Inhibitors of integrated stress response pathway | 20180605 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.9651272 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.9651272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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