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
    4.1930    0.3708   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -0.5722   -0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7579   -0.1714    1.3082 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -0.1942    0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1466   -1.2107    0.9244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784   -0.8001    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110    0.5415    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3716    0.9030    0.4366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0185    1.2247   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2456    0.6105   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975   -0.7333   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3002   -1.4443    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833    0.1215   -1.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9588    1.3936   -0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -1.6214   -0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740    1.8747    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8807    2.2774   -0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1165    1.1446   -0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3603   -1.2164   -0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992   -2.4983    0.6209 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