ethyl (2E)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Base Information

• Chemical Name: ethyl (2E)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS No.: 5826-89-1
• Molecular Formula: C25H45 O3 P S
• Molecular Weight: 424.5358
• DSSTox Substance ID: DTXSID10416658
• Mol file: 5826-89-1.mol

Synonyms:5826-89-1;AG-690/11668189;ethyl (2E)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate;DTXSID10416658;PIQOTOUIFJISFJ-SFQUDFHCSA-N;AKOS000532290;SR-01000409277;SR-01000409277-1;Phosphorothioic acid, O,O-diethyl O-(3-pentadecylphenyl) ester;Phosphorothioic acid, O,O-diethyl O-(m-pentadecylphenyl) ester;ethyl (2E)-7-methyl-2-(4-methylbenzylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate;ethyl 7-methyl-2-(4-methylbenzylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property of ethyl (2E)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property:

• Vapor Pressure: 5.44E-13mmHg at 25°C
• Boiling Point: 569.7°Cat760mmHg
• Flash Point: 298.3°C
• PSA: 117.14000
• Density: 1.34g/cm³
• LogP: 2.60380
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 424.09153485
• Heavy Atom Count: 29
• Complexity: 781

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(C=C4)C)S2)C
• Isomeric SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C\C4=CC=C(C=C4)C)/S2)C