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
    4.0123   -0.3265   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -0.1059    0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062   -0.9422    1.6680 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9005   -0.5931    0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651   -1.2735   -0.0326 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215   -0.6992   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387    0.3899    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827    0.4250    1.2701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686    1.1792    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1975    0.8976   -0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0940   -0.1925   -1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610   -0.9655   -1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7986    0.1781   -1.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676   -1.0267   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697    0.6093    1.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016    1.1462    2.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2885    2.0363    1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0917    1.4987   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8903   -0.4169   -1.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650   -1.8181   -1.8409 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