Monomers

2-(Ethenylthio)-1H-benzimidazole

Identifiers

IUPAC name
2-ethenylsulfanyl-1H-benzimidazole
InchI
InChI=1S/C9H8N2S/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h2-6H,1H2,(H,10,11)
InchI Key
XBLYMBSCQKOCPJ-UHFFFAOYSA-N
SMILES
C=CSc1nc2c([nH]1)cccc2
Canonical SMILES
C=CSC1=NC2=CC=CC=C2N1
Isomeric SMILES
C=CSC1=NC2=CC=CC=C2N1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8N2S
Heavy Atom Count
12
Molecular Weight
176.244
Exact Molecular Weight
176.0408
Valence Electrons
60
Radical Electrons
0
tPSA
28.68
MolLogP
2.7985
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8090   -0.1143    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -0.0111   -0.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5449   -1.4445   -0.3741 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294   -0.9475   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -1.7228   -0.2942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660   -0.9606   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9453    0.3407   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946    0.3009   -0.0845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8475    1.3960    0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970    1.1251    0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6140   -0.1710    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7210   -1.2150   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4585    0.7500    0.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1774   -1.0681    0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283    0.9377   -0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0157    1.1610   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    2.3827    0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8829    1.9384    0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6821   -0.4340    0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1012   -2.2437   -0.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  8  4  1  0
 12  6  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers