2-Methylthiazole-5-carboxylic Acid - CAS 40004-69-1
Catalog: |
BB024255 |
Product Name: |
2-Methylthiazole-5-carboxylic Acid |
CAS: |
40004-69-1 |
Synonyms: |
2-methyl-5-thiazolecarboxylic acid; 2-methyl-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 2-methyl-1,3-thiazole-5-carboxylic acid |
Description: | 2-Methylthiazole-5-carboxylic Acid (CAS# 40004-69-1) is a useful research chemical. |
Molecular Weight: | 143.16 |
Molecular Formula: | C5H5NO2S |
Canonical SMILES: | CC1=NC=C(S1)C(=O)O |
InChI: | InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8) |
InChI Key: | QCXCIYPOMMIBHO-UHFFFAOYSA-N |
Boiling Point: | 301.2 °C at 760 mmHg |
Density: | 1.418 g/cm3 |
MDL: | MFCD01760300 |
LogP: | 1.14970 |
GHS Hazard Statement: | H303+H313+H333 (25%): May be harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P312, 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-2020223536-A1 | Substituted cyclolakyls as modulators of the integrated stress pathway | 20190430 |
TW-202106671-A | Modulators of the integrated stress pathway | 20190430 |
WO-2020084300-A1 | Therapeutic compounds | 20181022 |
CN-112996785-A | Therapeutic compounds | 20181022 |
EP-3870578-A1 | Therapeutic compounds | 20181022 |
PMID | Publication Date | Title | Journal |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.00409958 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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