CAS 7152-24-1 | 2-(Methylthio)-1H-benzo[d]imidazole | CAS Number 7152-24-1

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7152-24-1 | 2-(Methylthio)-1H-benzo[d]imidazole

CAS No: 7152-24-1 Catalog No: AG003F3E MDL No:MFCD00005594

Product Description

Catalog Number:

AG003F3E

Chemical Name:

2-(Methylthio)-1H-benzo[d]imidazole

CAS Number:

7152-24-1

Molecular Formula:

C8H8N2S

Molecular Weight:

164.2275

MDL Number:

MFCD00005594

IUPAC Name:

2-methylsulfanyl-1H-benzimidazole

InChI:

InChI=1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)

InChI Key:

OCKJFOHZLXIAAT-UHFFFAOYSA-N

SMILES:

CSc1nc2c([nH]1)cccc2

EC Number:

230-494-5

UNII:

3O1W4OYE3V

NSC Number:

21699

Properties

Complexity:

140

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.226g/mol

Monoisotopic Mass:

164.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Inhibitors of the salicylate synthase (MbtI) from Mycobacterium tuberculosis discovered by high-throughput screening.	ChemMedChem 20101203
Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study.	Bioorganic & medicinal chemistry 20070115
Scaled quantum chemical studies of the structure and vibrational spectra of 2-(methylthio) benzimidazole.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20051101
Synthesis and antiparasitic activity of 1H-benzimidazole derivatives.	Bioorganic & medicinal chemistry letters 20020819