4-Desmethoxypropoxyl-4-methylthio rabeprazole

CAS

99487-86-2

Catalog Number

ACM99487862

Category

Other Products

Molecular Weight

317.43

Molecular Formula

C₁₅H₁₅N₃OS₂

MSDS COA Spec Sheet

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Specification

Synonyms

2-[[[3-Methyl-4-(methylthio)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole;

IUPAC Name

2-[(3-methyl-4-methylsulfanylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Canonical SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)SC

InChI Key

DENFLHAXXHNAPQ-UHFFFAOYSA-N

Exact Mass

317.06600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

The molecular formula of 4-Desmethoxypropoxyl-4-methylthio rabeprazole is C15H15N3OS2.

When was 4-Desmethoxypropoxyl-4-methylthio rabeprazole created and modified in PubChem?

4-Desmethoxypropoxyl-4-methylthio rabeprazole was created on 2007-02-08 and last modified on 2023-12-30.

What is the IUPAC name of 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

The IUPAC name of 4-Desmethoxypropoxyl-4-methylthio rabeprazole is 2-[(3-methyl-4-methylsulfanylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole.

What is the InChI of 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

The InChI of 4-Desmethoxypropoxyl-4-methylthio rabeprazole is InChI=1S/C15H15N3OS2/c1-10-13(16-8-7-14(10)20-2)9-21(19)15-17-11-5-3-4-6-12(11)18-15/h3-8H,9H2,1-2H3,(H,17,18).

What is the molecular weight of 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

The molecular weight of 4-Desmethoxypropoxyl-4-methylthio rabeprazole is 317.4 g/mol.

How many hydrogen bond donor counts are there in 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

There is 1 hydrogen bond donor count in 4-Desmethoxypropoxyl-4-methylthio rabeprazole.

What is the XLogP3 value of 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

The XLogP3 value of 4-Desmethoxypropoxyl-4-methylthio rabeprazole is 2.2.

How many rotatable bond counts are there in 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

There are 4 rotatable bond counts in 4-Desmethoxypropoxyl-4-methylthio rabeprazole.

What is the topological polar surface area of 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

The topological polar surface area of 4-Desmethoxypropoxyl-4-methylthio rabeprazole is 103Å².

Is the compound canonicalized for 4-Desmethoxypropoxyl-4-methylthio rabeprazole?

Yes, the compound is canonicalized for 4-Desmethoxypropoxyl-4-methylthio rabeprazole.