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
    4.6781   -0.2803   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6214   -0.0735   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423   -1.3922    0.4161 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592   -0.7952    0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154   -1.5692    0.6190 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3337   -0.8512    0.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9127    0.3842   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293    0.4186   -0.1185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8349    1.3578   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1788    1.0557   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6055   -0.1790    0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6714   -1.1472    0.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535   -1.2801   -1.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3306    0.5175   -1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139    0.9386    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565    1.2002   -0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5526    2.3504   -0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8801    1.8344   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6732   -0.3850    0.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0264   -2.1046    0.9518 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