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
    4.2403    0.2314    0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894   -0.9362    0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705   -1.2655   -1.0147 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842   -0.8130   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742   -1.6013   -0.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1760   -0.8331    0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8718    0.4201   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001    0.4246   -0.8184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8151    1.4332   -0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688    1.1668    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -0.0886    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4439   -1.1025    0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1257    0.9666   -0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    0.4363    1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626   -1.7107    1.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227    1.2486   -1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5366    2.4154   -0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103    1.9472    0.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3594   -0.2675    0.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7320   -2.0717    0.9467 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