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
    4.1029    0.3326   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7016   -0.9072   -0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5442   -1.6172    0.8736 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9228   -0.9051    0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    0.0015   -0.4361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    0.3025   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2137   -0.4662    0.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2195   -1.1797    1.1546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5713   -0.3341    0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3530    0.5126    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7920    1.2669   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528    1.1575   -1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114    0.8157   -0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391    0.9372    0.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0723   -1.4883   -1.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -1.8404    1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256   -0.9149    1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167    0.6334    0.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3943    1.9321   -1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0456    1.7613   -1.9836 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