2-Isopropylthiazole-4-carboxylic Acid - CAS 234445-61-5
Catalog: |
BB018056 |
Product Name: |
2-Isopropylthiazole-4-carboxylic Acid |
CAS: |
234445-61-5 |
Synonyms: |
2-propan-2-yl-4-thiazolecarboxylic acid; 2-propan-2-yl-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-propan-2-yl-1,3-thiazole-4-carboxylic acid |
Description: | 2-Isopropylthiazole-4-carboxylic Acid (CAS# 234445-61-5) is a chemical reactant used in the preparation of new M3 muscarinic antagonists. Also used in the novel synthesis of Cystothiazole C which is a potential antifungal agent. |
Molecular Weight: | 171.22 |
Molecular Formula: | C7H9NO2S |
Canonical SMILES: | CC(C)C1=NC(=CS1)C(=O)O |
InChI: | InChI=1S/C7H9NO2S/c1-4(2)6-8-5(3-11-6)7(9)10/h3-4H,1-2H3,(H,9,10) |
InChI Key: | XHYVJUUPYNCLHY-UHFFFAOYSA-N |
Boiling Point: | 297.66 °C at 760 mmHg |
Density: | 1.271 g/cm3 |
MDL: | MFCD09055228 |
LogP: | 1.96470 |
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 |
CA-3066942-A1 | Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders | 20170614 |
US-2019307731-A1 | Aryl hydrocarbon receptor modulator | 20161226 |
US-2019330201-A1 | Aryl hydrocarbon receptor modulators | 20161226 |
US-2018057505-A1 | Bicyclic heteroaryl compounds useful as inhibitors of the par-2 signaling pathway | 20150320 |
US-2019284149-A1 | Aryl hydrocarbon receptor modulator | 20140912 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.03539970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.03539970 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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