2-Benzyl-4-methyl-thiazole-5-carboxylic acid - CAS 876715-98-9
Catalog: |
BB050157 |
Product Name: |
2-Benzyl-4-methyl-thiazole-5-carboxylic acid |
CAS: |
876715-98-9 |
Synonyms: |
4-methyl-2-benzyl-1,3-thiazole-5-carboxylic acid; 2-Benzyl-4-methylthiazole-5-carboylic acid; 5-Thiazolecarboxylic acid, 4-methyl-2-(phenylmethyl)- |
IUPAC Name: | 2-benzyl-4-methyl-1,3-thiazole-5-carboxylic acid |
Description: | 2-Benzyl-4-methyl-thiazole-5-carboxylic acid (CAS# 876715-98-9 ) is a useful research chemical. |
Molecular Weight: | 233.29 |
Molecular Formula: | C12H11NO2S |
Canonical SMILES: | CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C12H11NO2S/c1-8-11(12(14)15)16-10(13-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,15) |
InChI Key: | SGWCGSNQYPEXBO-UHFFFAOYSA-N |
Boiling Point: | 429.1±33.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.05104977 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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