2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic Acid - CAS 54001-17-1
Catalog: |
BB028449 |
Product Name: |
2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic Acid |
CAS: |
54001-17-1 |
Synonyms: |
2-(4-chlorophenyl)-4-methyl-5-thiazolecarboxylic acid; 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
Description: | 2-(4-Chlorophenyl)-4-methylthiazole-5-carboxylic Acid (CAS# 54001-17-1) is a useful research chemical. |
Molecular Weight: | 253.70 |
Molecular Formula: | C11H8ClNO2S |
Canonical SMILES: | CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C11H8ClNO2S/c1-6-9(11(14)15)16-10(13-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15) |
InChI Key: | LZNWUXDMQPUUDR-UHFFFAOYSA-N |
Boiling Point: | 445.8 °C at 760 mmHg |
Density: | 1.423 g/cm3 |
Solubility: | 33.2 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD00141960 |
LogP: | 3.47010 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-6853619-B2 | Pharmaceutical use of cyanotriazole compounds | 20150116 |
KR-101657678-B1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
KR-20150052463-A | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
WO-2015069011-A1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
EP-2594555-A1 | HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR | 20100702 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.9964274 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.9964274 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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