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
    4.2563   -0.6397   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630    0.0112    0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6880    1.3847    0.2119 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717    0.8675    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299    1.7466   -0.0942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2092    1.0680   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8645   -0.2560    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4741   -0.3752    0.1827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8766   -1.1940    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900   -0.8052   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5156    0.5101   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246    1.4657   -0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0137   -0.3465   -1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9137   -1.4794   -0.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9994   -0.2734    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373   -1.2427    0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004   -2.2473    0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9892   -1.5349   -0.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5440    0.8289   -0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7733    2.5116   -0.4459 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