sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-(Methylthio)benzimidazole

2-(Methylthio)benzimidazole

CAS No.:
7152-24-1
Catalog Number:
AG003F3E
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$53
- +
1g
98%
1 week
United States
$59
- +
5g
>99.0%(T)(HPLC)
1 week
United States
$94
- +
25g
>99.0%(T)(HPLC)
1 week
United States
$163
- +
Product Description
Catalog Number:
AG003F3E
Chemical Name:
2-(Methylthio)benzimidazole
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties