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
   -4.8491   -0.3783    0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743   -0.5301    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5777    0.8217    1.2446 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8891    0.6095    0.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249    1.0943   -0.4306 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9829    0.7029   -0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -0.0390    0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0206   -0.0984    1.3929 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427   -0.5646    0.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639   -0.3555   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2426    0.3929   -1.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914    0.9191   -1.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4326   -1.1788   -0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3247    0.5725    0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1078   -1.4868    0.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1002   -0.6015    2.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648   -1.1437    1.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318   -0.7903    0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0551    0.5534   -1.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    1.5007   -2.2752 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