4-Desmethoxypropoxyl-4-methylthio Rabeprazole

Base Information

• Chemical Name: 4-Desmethoxypropoxyl-4-methylthio Rabeprazole
• CAS No.: 99487-86-2
• Molecular Formula: C15H14N3OS2
• Molecular Weight: 316.42116
• DSSTox Substance ID: DTXSID70544860
• Mol file: 99487-86-2.mol

Synonyms:99487-86-2;4-Desmethoxypropoxyl-4-methylthio Rabeprazole;2-[[[3-Methyl-4-(methylthio)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole;2-[(3-methyl-4-methylsulfanylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole;SCHEMBL9874782;DTXSID70544860;2-(((3-Methyl-4-(methylthio)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole;2-{[3-Methyl-4-(methylsulfanyl)pyridin-2-yl]methanesulfinyl}-1H-benzimidazole

Chemical Property of 4-Desmethoxypropoxyl-4-methylthio Rabeprazole

Chemical Property:

• PSA: 103.15000
• LogP: 4.16170
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 317.06565446
• Heavy Atom Count: 21
• Complexity: 382

Purity/Quality:

97% ^*data from raw suppliers

4-Desmethoxypropoxyl-4-methylthioRabeprazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)SC