Thiazole-5-carboxylic acid - CAS 14527-41-4
Catalog: |
BB009911 |
Product Name: |
Thiazole-5-carboxylic acid |
CAS: |
14527-41-4 |
Synonyms: |
5-thiazolecarboxylic acid; 1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 1,3-thiazole-5-carboxylic acid |
Description: | Thiazole-5-carboxylic acid (CAS# 14527-41-4) is a useful research chemical used in the preparation of of 1,3,4-oxadiazole derivatives. |
Molecular Weight: | 129.14 |
Molecular Formula: | C4H3NO2S |
Canonical SMILES: | C1=C(SC=N1)C(=O)O |
InChI: | InChI=1S/C4H3NO2S/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7) |
InChI Key: | YZVFSQQHQPPKNX-UHFFFAOYSA-N |
Boiling Point: | 319.236 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.525 g/cm3 |
MDL: | MFCD03428539 |
LogP: | 0.84130 |
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 |
CA-3104674-A1 | Natural killer cells | 20180626 |
KR-20200096522-A | Modulators of the integrated stress pathway | 20171102 |
JP-2021501786-A | Modulator of integrated stress pathway | 20171102 |
AU-2018283331-A1 | Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders | 20170614 |
CA-3066942-A1 | Diazabicyclic substituted imidazopyrimidines and their use for the treatment of breathing disorders | 20170614 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.98844951 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.98844951 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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