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
    4.3509   -0.2961    0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778   -0.9577   -0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6492   -0.1821   -1.5416 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9600   -0.0117   -0.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0363    0.5363   -1.6743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1911    0.5237   -0.9708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814   -0.0655    0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356   -0.3809    0.2201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8807   -0.2137    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1741    0.2120    0.9238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4894    0.8021   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4831    0.9467   -1.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9541   -0.7926    1.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324    0.8026    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7535   -2.0354   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9854   -0.8415    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670   -0.6739    2.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9710    0.0997    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5101    1.1227   -0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7148    1.4052   -2.1671 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