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
    4.7121   -0.2256    0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    0.4686    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959   -0.0620   -0.9702 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233   -0.0260   -0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4240    0.3410    0.5078 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    0.2292    0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1648   -0.2191   -0.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529   -0.3619   -1.5165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620   -0.4211   -1.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5494   -0.1889   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2919    0.2567    0.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9976    0.4579    1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2761    0.0623    1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646   -1.0989    0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584    1.3393    1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1907   -0.6878   -2.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6297   -0.7709   -2.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5736   -0.3451   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1540    0.4408    1.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8174    0.8117    2.1687 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