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
    4.6248    0.5800   -0.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5980    0.6208    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609   -0.8717    0.6698 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9939   -0.6454    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595   -0.8774   -0.6445 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -0.5802   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -0.1488    0.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1783   -0.1964    1.4262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806    0.2366    1.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4104    0.1781    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3576   -0.2549   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -0.6365   -1.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9721   -0.3630   -1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831    1.4608   -0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3166    1.6114    0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4476    0.0782    2.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2707    0.5714    2.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    0.4854    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3002   -0.2730   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183   -0.9754   -2.1810 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