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
    4.4308   -0.7703   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335    0.3393   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    0.5393   -1.5888 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8670    0.3909   -0.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5902    0.1645    0.4073 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456    0.1164    0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    0.3178   -0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933    0.4816   -1.5347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6912    0.3113   -0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669    0.1046    0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9047   -0.0973    1.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5357   -0.0914    1.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   -1.6387   -0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1615   -0.8633    0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9059    1.1670    0.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3882    0.6569   -2.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1004    0.4715   -1.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5485    0.1052    0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218   -0.2596    2.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093   -0.2432    2.6288 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