2-(2-Thienyl)-1,3-thiazole-4-carboxylic acid - CAS 24044-07-3
Catalog: |
BB018309 |
Product Name: |
2-(2-Thienyl)-1,3-thiazole-4-carboxylic acid |
CAS: |
24044-07-3 |
Synonyms: |
2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-thiophen-2-yl-1,3-thiazole-4-carboxylic acid |
Description: | 2-(2-Thienyl)-1,3-thiazole-4-carboxylic acid (CAS# 24044-07-3) is a useful research chemical. |
Molecular Weight: | 211.26 |
Molecular Formula: | C8H5NO2S2 |
Canonical SMILES: | C1=CSC(=C1)C2=NC(=CS2)C(=O)O |
InChI: | InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11) |
InChI Key: | FGKCNTGJZXHKFJ-UHFFFAOYSA-N |
Boiling Point: | 441.5 °C at 760 mmHg |
Melting Point: | 156 °C |
Purity: | 95 % |
Density: | 1.515 g/cm3 |
Solubility: | >31.7 [ug/mL] (The mean of the results at pH 7.4) |
MDL: | MFCD01936014 |
LogP: | 2.56980 |
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 |
JP-WO2017073065-A1 | New anticancer drugs | 20151028 |
WO-2017073065-A1 | Novel anticancer drug | 20151028 |
JP-6777904-B2 | New anti-cancer drug | 20151028 |
US-10206903-B2 | Methods of treating muscular dystrophy | 20130315 |
US-10537553-B2 | Methods of treating muscular dystrophy | 20130315 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.97617075 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.97617075 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 107 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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