1-methyl-2-(methylsulfanyl)-1H-benzimidazole

: Iupac Name：1-methyl-2-methylsulfanylbenzimidazole;hydroiodide; CAS No.: 73688-75-2; Molecular Weight：306.165; Modify Date.: 2023-02-27 02:15

1. Names and Identifiers

: 1.1 Name; 1-methyl-2-(methylsulfanyl)-1H-benzimidazole; 1.2 Synonyms; 1H-benzimidazole, 1-methyl-2-(methylthio)- 1H-Benzimidazole, 1-methyl-2-(methylthio)-, hydroiodide (1:1) 1h-benzimidazole, 1-methyl-2-(methylthio)-, monohydriodide 1H-Benzimidazole, 1-methyl-2-(methylthio)-, monohydriodide (9CI) 1h-benzimidazole, monohydriodide 1H-Benzimidazole,monohydriodide 1H-BENZO[D]IMIDAZOLE,1-METHYL-2-(METHYLTHIO)-,MONOHYDRIODIDE 1-Methyl-2-(methylsulfanyl)-1H-benzimidazole hydroiodide (1:1) 1-methyl-2-methylsulfanylbenzimidazole,hydroiodide 2-methylthiobenzimidazole methiodide 3-methyl-2-methylthiobenzimidazolium iodide AC1MHR3Q benzimidazolium, 3-methyl-2-methylthio-, iodide benzimidazolium, iodide Benzimidazolium,3-methyl-2-methylthio-,iodide Benzimidazolium,iodide DTXSID30223967 nsc 71892 nsc71892; View all

1.6 Inchi: InChI=1S/C9H10N2S.HI/c1-11-8-6-4-3-5-7(8)10-9(11)12-2;/h3-6H,1-2H3;1H

2. Properties

3. MSDS

no data available

no data available

4. Computational chemical data

Molecular Weight: 306.165g/mol
Molecular Formula: C₉H₁₁IN₂S
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 305.96877
Monoisotopic Mass: 305.96877
Complexity: 163
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 43.1
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADccBzAABAAgAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAQAAAAACAiBFgSz0LcMEAigASRiZACC0C1hEqAJ2CA4dJiIaKLAmZGUIAhogAJIyCcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

6. Realated Product Infomation

845879-34-7 2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-benzimidazole

94906-59-9 1-benzyl-2-(methylsulfanyl)-1H-benzimidazole

939231-02-4 2-Methyl-6-(methylsulfanyl)-1,7-dihydroimidazo[4,5-f]benzimidazole

478031-53-7 4-(METHYLSULFANYL)-6-[(METHYLSULFANYL)METHYL]-2-(3-PYRIDINYL)PYRIMIDINE

383127-09-1 2-[(Methylsulfanyl)methyl]pyrrolidine

14001-63-9 4-METHYL-2-(METHYLSULFANYL)PYRIMIDINE

100114-24-7 5-METHYL-2-METHYLSULFANYL-PYRIMIDINE

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