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
   -3.7533   -0.5344   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7883    0.7427    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910    1.3920    1.2297 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9485    0.8836    0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175    1.5512   -0.0811 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296    0.8388   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442   -0.2797    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791   -0.2526    1.1634 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8930   -1.1931    0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -0.9903   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462    0.1307   -0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    1.0383   -0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0253   -1.2002    0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642   -0.9695   -0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5409    1.3787   -0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7755   -0.9814    1.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7353   -2.0705    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8686   -1.7087   -0.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    0.3060   -1.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3278    1.9183   -1.5065 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