Home Nitriles 2-(Thiophen-2-yl)-1H-benzo[d]imidazole-6-carbonitrile

2-(Thiophen-2-yl)-1H-benzo[d]imidazole-6-carbonitrile

CAS No.:
1421261-89-3
Catalog Number:
AG01AUFU
Molecular Formula:
C12H7N3S
Molecular Weight:
225.2691
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$82
- +
1g
97%
1 week
United States
$188
- +
Product Description
Catalog Number:
AG01AUFU
Chemical Name:
2-(Thiophen-2-yl)-1H-benzo[d]imidazole-6-carbonitrile
CAS Number:
1421261-89-3
Molecular Formula:
C12H7N3S
Molecular Weight:
225.2691
MDL Number:
MFCD22988957
IUPAC Name:
2-thiophen-2-yl-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C12H7N3S/c13-7-8-3-4-9-10(6-8)15-12(14-9)11-2-1-5-16-11/h1-6H,(H,14,15)
InChI Key:
CKWJNCCUXIRAOO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(n2)c1cccs1
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.269g/mol
Monoisotopic Mass:
225.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties