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Pantoprazole Impurity 27

CAT: 1299-RM-P201653-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P201653-01Size:10 mg
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CAS Number
1166386-02-2
Synonyms
2- (((3,4-dimethoxypyridin-2-yl) methyl) thio) -1H-benzo[d]imidazol-6-ol
Molecular Formula
C15H15N3O3S
Molecular Weight
317.36
Target Alternative Name
Pantoprazole
Product Name Synonym
2- (((3,4-dimethoxypyridin-2-yl) methyl) thio) -1H-benzo[d]imidazol-6-ol

Chemical Information

2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-ol
CAS Number1166386-02-2
PubChem CID141190321
IUPAC Name2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-ol
Molecular FormulaC15H15N3O3S
Molecular Weight317.4
XLogP2.4
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity363
SMILES
COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)O)OC
InChI
InChI=1S/C15H15N3O3S/c1-20-13-5-6-16-12(14(13)21-2)8-22-15-17-10-4-3-9(19)7-11(10)18-15/h3-7,19H,8H2,1-2H3,(H,17,18)
InChIKey
GKSNBOSNBGPPIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-ol
CAS: 1166386-02-2
CID: 141190321
Formula: C15H15N3O3S
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass317.08341252
Monoisotopic Mass317.08341252
Topological Polar Surface Area106 Ų
Heavy Atom Count22
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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