methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
• CAS No.: 152509-78-9
• Molecular Formula: C20H25 Cl3 N2 O4 S
• Molecular Weight: 495.85
• Mol file: 152509-78-9.mol

Synonyms:thiazohalostatin

Chemical Property of methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 8.63E-18mmHg at 25°C
• Boiling Point: 650.2°Cat760mmHg
• PKA: 1.13±0.40(Predicted)
• Flash Point: 347°C
• PSA: 117.05000
• Density: 1.44g/cm³
• LogP: 5.25390
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 494.060062
• Heavy Atom Count: 30
• Complexity: 706

Purity/Quality:

THIAZOHALOSTATIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)C1=NC(CS1)C(=O)OC)CC(C)C(=O)C=C(C2=C(C(=C(N2)Cl)Cl)Cl)O
• Isomeric SMILES: CC(CC(C)C1=NC(CS1)C(=O)OC)CC(C)C(=O)/C=C(/C2=C(C(=C(N2)Cl)Cl)Cl)\O