2-(3-Pyridyl)-4-methylthiazole-5-carboxylic acid - CAS 39091-01-5
Catalog: |
BB023834 |
Product Name: |
2-(3-Pyridyl)-4-methylthiazole-5-carboxylic acid |
CAS: |
39091-01-5 |
Synonyms: |
4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid |
IUPAC Name: | 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid |
Description: | 2-(3-Pyridyl)-4-methylthiazole-5-carboxylic acid (CAS# 39091-01-5) is a useful research chemical. |
Molecular Weight: | 220.25 |
Molecular Formula: | C10H8N2O2S |
Canonical SMILES: | CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)O |
InChI: | InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14) |
InChI Key: | CJLQNROYBZEUGH-UHFFFAOYSA-N |
Boiling Point: | 459 ℃ at 760 mmHg |
Melting Point: | 244-248 ℃ (dec.)(lit.) |
Purity: | 97 % |
Density: | 1.381 g/cm3 |
Appearance: | A crystalline solid |
MDL: | MFCD00171753 |
LogP: | 2.21170 |
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 |
EP-3325467-A1 | Substituted heteroaryl carboxylic acid hydrazides or salts thereof and use thereof to increase stress tolerance in plants | 20150717 |
US-2018206498-A1 | Substituted heteroaryl carboxylic acid hydrazides or salts thereof and use thereof to increase stress tolerance in plants | 20150717 |
WO-2017012965-A1 | Substituted heteroaryl carboxylic acid hydrazides or salts thereof and use thereof to increase stress tolerance in plants | 20150717 |
CA-2961833-A1 | Herbicidal pyridino-/pyrimidino-thiazoles | 20140924 |
EP-3197276-A1 | Herbicidal pyridino-/pyrimidino-thiazoles | 20140924 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 91.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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