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
    3.7004    0.2562   -0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8152   -0.3196    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202   -1.3461    1.3248 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -0.7724    0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7419    0.2741   -0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5840    0.4186   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919   -0.5694    0.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2682   -1.3041    1.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5744   -0.7040    0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876    0.2065   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6721    1.2097   -1.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122    1.3310   -1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365    0.1476   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5189    0.8633   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7165   -0.1826    1.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370   -2.1246    1.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730   -1.5005    1.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3715    0.1140   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2401    1.9097   -1.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7706    2.0929   -1.5518 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