2-(4-Hydroxyphenyl)thiazole-4-carboxylic Acid - CAS 36705-82-5
Catalog: |
BB023037 |
Product Name: |
2-(4-Hydroxyphenyl)thiazole-4-carboxylic Acid |
CAS: |
36705-82-5 |
Synonyms: |
2-(4-hydroxyphenyl)-4-thiazolecarboxylic acid; 2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid |
Description: | 2-(4-Hydroxyphenyl)thiazole-4-carboxylic Acid (CAS# 36705-82-5) is a useful research chemical. |
Molecular Weight: | 221.23 |
Molecular Formula: | C10H7NO3S |
Canonical SMILES: | C1=CC(=CC=C1C2=NC(=CS2)C(=O)O)O |
InChI: | InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-5,12H,(H,13,14) |
InChI Key: | YSKMZPAUCUGNFT-UHFFFAOYSA-N |
LogP: | 2.21390 |
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-2010113512-A1 | Method of treatment using novel antagonists or inverse agonists at opioid receptors | 20081030 |
EP-2054383-A2 | Novel compounds as antagonists or inverse agonists at opioid receptors | 20060809 |
US-2011124559-A1 | Novel compounds as antagonists or inverse agonists at opioid receptors | 20060809 |
US-2014100255-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | 20060809 |
US-2014323487-A1 | Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors | 20060809 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.01466426 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.01466426 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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