5-Chlorothiazole-2-carboxylic Acid - CAS 101012-16-2
Catalog: |
BB000417 |
Product Name: |
5-Chlorothiazole-2-carboxylic Acid |
CAS: |
101012-16-2 |
Synonyms: |
5-chloro-2-thiazolecarboxylic acid; 5-chloro-1,3-thiazole-2-carboxylic acid |
IUPAC Name: | 5-chloro-1,3-thiazole-2-carboxylic acid |
Description: | 5-Chlorothiazole-2-carboxylic Acid (CAS# 101012-16-2) is a useful research chemical. |
Molecular Weight: | 163.58 |
Molecular Formula: | C4H2ClNO2S |
Canonical SMILES: | C1=C(SC(=N1)C(=O)O)Cl |
InChI: | InChI=1S/C4H2ClNO2S/c5-2-1-6-3(9-2)4(7)8/h1H,(H,7,8) |
InChI Key: | JZFTYFVKMBSMFP-UHFFFAOYSA-N |
LogP: | 1.49470 |
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 |
EP-3541805-B1 | Heteroaryl-substituted triazoles as apj receptor agonists | 20161116 |
US-11046680-B1 | Heteroaryl-substituted triazoles as APJ receptor agonists | 20161116 |
HU-T58314-A | Process for producing 3-substituted-2-oxindol derivatives | 19890418 |
US-3275644-A | Certain 1-azolylindol-3-ylaliphatic acids | 19620105 |
GB-767141-A | Improvements in or relating to thiazole derivatives | 19540618 |
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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