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
    3.6495    0.6172    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8655   -0.5673    0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.8488    0.4350 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946   -1.1193    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -0.7916   -0.9828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059   -0.2709   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0146   -0.2675    0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1063   -0.7914    1.1335 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112    0.2247    1.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2033    0.7112    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9502    0.6873   -1.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702    0.2060   -1.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430    0.8183   -0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3592    1.4313    0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7796   -0.7089    1.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2507   -0.9209    2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3881    0.2339    2.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1526    1.1014    0.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7291    1.0708   -1.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5666    0.1845   -2.6900 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