5-Methyl-2-Phenyl-4,5-Dihydro-1,3-Thiazole
[CAS# 23062-75-1]

Identification

• Name: 5-Methyl-2-Phenyl-4,5-Dihydro-1,3-Thiazole
• Synonyms: 5-Methyl-2-Phenyl-4,5-Dihydrothiazole; 4,5-Dihydro-5-Methyl-2-Phenylthiazole; 4-27-00-01108 (Beilstein Handbook Reference)
• Molecular Formula: C₁₀H₁₁NS
• Molecular Weight: 177.26
• CAS Registry Number: 23062-75-1
• SMILES: C1=CC=CC=C1C2=NCC(S2)C
• InChI: 1S/C10H11NS/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
• InChIKey: ICCYFBRBECDTKG-UHFFFAOYSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 285.445°C at 760 mmHg (Cal.)
• Flash point: 126.433°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370