Methyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-1,4-benzothiazepine-2-acetate

Base Information

• Chemical Name: Methyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-1,4-benzothiazepine-2-acetate
• CAS No.: 86628-25-3
• Molecular Formula: C13H15NO3S
• Molecular Weight: 265.3281
• DSSTox Substance ID: DTXSID501006967

Synonyms:Methyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-1,4-benzothiazepine-2-acetate;1,4-Benzothiazepine-2-acetic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester;86628-25-3;DTXSID501006967;LS-40534;Methyl (5-hydroxy-7-methyl-2,3-dihydro-1,4-benzothiazepin-2-yl)acetate

Chemical Property of Methyl 2,3,4,5-tetrahydro-7-methyl-5-oxo-1,4-benzothiazepine-2-acetate

Chemical Property:

• Vapor Pressure: 1.09E-09mmHg at 25°C
• Boiling Point: 488.4°Cat760mmHg
• Flash Point: 249.2°C
• Density: 1.206g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 265.07726451
• Heavy Atom Count: 18
• Complexity: 334

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC(CNC2=O)CC(=O)OC

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