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
   -3.9340    0.7824    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8118   -0.5352    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6497   -1.3398   -0.8157 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984   -0.7810   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3834    0.2587   -1.1032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    0.3903   -0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0010   -0.6388    0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433   -1.3431    0.3582 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2049   -0.7818    0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390    0.0945    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    1.1309   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    1.2565   -0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3380    1.3781   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6597    1.2612    0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3917   -1.1428    0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082   -2.1779    0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268   -1.5787    1.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -0.0678    1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656    1.7797   -0.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133    2.0547   -1.5896 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