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
    4.3997    0.5851   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5644   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829   -0.8992    1.1711 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -0.4990    0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    0.7024    1.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840    0.5971    0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1113   -0.6756    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0467   -1.3348    0.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3808   -1.0053   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4279   -0.1129   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1704    1.1529    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9352    1.5195    0.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428    0.7957   -1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3172    1.3388    0.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8401   -1.2938   -1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782   -2.3250    0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314   -2.0176   -0.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4164   -0.3722   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9712    1.8911    0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7739    2.5172    0.9718 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