1-(2-Benzyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one - CAS 937598-06-6
Catalog: |
BB048902 |
Product Name: |
1-(2-Benzyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one |
CAS: |
937598-06-6 |
Synonyms: |
1-(2-Benzyl-4-methylthiazol-5-yl)ethanone; 5-acetyl-4-methyl-2-benzyl-1,3-thiazole; Ethanone, 1-[4-methyl-2-(phenylmethyl)-5-thiazolyl]- |
IUPAC Name: | 1-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanone |
Description: | 1-(2-Benzyl-4-methyl-1,3-thiazol-5-yl)ethan-1-one (CAS# 937598-06-6 ) is a useful research chemical. |
Molecular Weight: | 231.32 |
Molecular Formula: | C13H13NOS |
Canonical SMILES: | CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)C |
InChI: | InChI=1S/C13H13NOS/c1-9-13(10(2)15)16-12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3 |
InChI Key: | OPDVFVZVSSJRPL-UHFFFAOYSA-N |
Boiling Point: | 377.3±30.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.07178521 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.07178521 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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