2-Chlorothiazole-4-carboxylic Acid - CAS 5198-87-8
Catalog: |
BB027674 |
Product Name: |
2-Chlorothiazole-4-carboxylic Acid |
CAS: |
5198-87-8 |
Synonyms: |
2-chloro-4-thiazolecarboxylic acid; 2-chloro-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-chloro-1,3-thiazole-4-carboxylic acid |
Description: | 2-Chlorothiazole-4-carboxylic Acid (CAS# 5198-87-8) is a useful research chemical. |
Molecular Weight: | 163.58 |
Molecular Formula: | C4H2ClNO2S |
Canonical SMILES: | C1=C(N=C(S1)Cl)C(=O)O |
InChI: | InChI=1S/C4H2ClNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8) |
InChI Key: | UVYJJJQMZPCYKY-UHFFFAOYSA-N |
Boiling Point: | 370.208 ℃ at 760 mmHg |
Density: | 1.693 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09870033 |
LogP: | 1.49470 |
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 |
WO-2019209896-A1 | Nlrp3 modulators | 20180425 |
AU-2019261582-A1 | NLRP3 modulators | 20180425 |
CN-112074516-A | NLRP3 modulators | 20180425 |
TW-202014420-A | NLRP3 regulator | 20180425 |
BR-112020021539-A2 | NLRP3 MODULATORS | 20180425 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.9494772 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.9494772 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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