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
    3.9055    0.0137   -0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7107   -1.1462    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3119   -2.1470   -0.2256 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7909   -1.2033   -0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4312   -1.7133   -0.3481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3820   -0.7634   -0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896    0.3757    0.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6376    0.0942    0.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387    1.5121    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8126    1.5235    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5049    0.3845   -0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608   -0.7521   -0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7632    0.6211   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1901    0.3421   -1.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4373   -1.4708    0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4046    0.7606    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8735    2.4064    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3812    2.4263    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5965    0.3951   -0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2806   -1.6593   -0.5789 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