Home Other Building Blocks 1H-Benzimidazole, 2-(phenylthio)-

1H-Benzimidazole, 2-(phenylthio)-

CAS No.:
2360-29-4
Catalog Number:
AG002NV3
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$267
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Product Description
Catalog Number:
AG002NV3
Chemical Name:
1H-Benzimidazole, 2-(phenylthio)-
CAS Number:
2360-29-4
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
MDL Number:
MFCD00957647
IUPAC Name:
2-phenylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C13H10N2S/c1-2-6-10(7-3-1)16-13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)
InChI Key:
IHOFRNVUIOVDJP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Sc1nc2c([nH]1)cccc2
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties