Cas no 117976-94-0 (1-Propanol,3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-)

1-Propanol,3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]- structure
117976-94-0 structure
Product Name:1-Propanol,3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-
CAS No:117976-94-0
MF:C17H19N3O3S
MW:345.41606259346
CID:131707
PubChem ID:9906180
Update Time:2025-04-19

1-Propanol,3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanol,3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-
    • 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-1-Propanol
    • 3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylpyridin-4-yl]oxypropan-1-ol
    • Racemic-O-Desmethyl Rabeprazole Impurity
    • 1-Propanol, 3-((2-((1H-benzimidazol-2-ylsulfinyl)methyl)-3-methyl-4-pyridinyl)oxy)-
    • AKOS015842448
    • DTXSID90432674
    • I58UIQ1OYK
    • 117976-94-0
    • Desmethyl rabeprazole
    • 3-((2-(((1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-3-methylpyridin-4-yl)oxy)propan-1-ol? (Rabeprazole Impurity
    • OBQCUJTXRBUDMO-UHFFFAOYSA-N
    • CS-0166559
    • 2-[{4-(3-hydroxypropoxy)-3-methylpyridine-2-yl}methylsulfinyl]-1H-benzimidazole
    • UNII-I58UIQ1OYK
    • 3-((2-(((1H-Benzo[d]imidazol-2-yl)sulfinyl)methyl)-3-methylpyridin-4-yl)oxy)propan-1-ol
    • SCHEMBL6582664
    • F93954
    • Q27280462
    • FT-0728892
    • 1-Propanol, 3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-
    • Inchi： 1S/C17H19N3O3S/c1-12-15(18-8-7-16(12)23-10-4-9-21)11-24(22)17-19-13-5-2-3-6-14(13)20-17/h2-3,5-8,21H,4,9-11H2,1H3,(H,19,20)
    • InChI Key： OBQCUJTXRBUDMO-UHFFFAOYSA-N
    • SMILES： S(C1=NC2C=CC=CC=2N1)(CC1C(C)=C(C=CN=1)OCCCO)=O

Computed Properties

  • Exact Mass: 344.10704
  • Monoisotopic Mass: 345.11471265g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 426
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 107?2

Experimental Properties

  • PSA: 85.2
  • LogP: 3.20100

1-Propanol,3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]- Related Literature

117976-94-0 (1-Propanol,3-[[2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-3-methyl-4-pyridinyl]oxy]-) Related Products

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