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
   -4.0917   -0.6320   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8494    0.5571   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5971    1.6502   -0.1476 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9855    0.8961   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.3364   -0.4424 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7197   -0.5005   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1778    0.7067    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148    1.5474    0.3129 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    0.8619    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009   -0.1689    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781   -1.3895   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -1.5121   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8750   -1.2559   -0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5408   -1.0492    0.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4549    0.8781   -1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895    2.5419    0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312    1.8474    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4525    0.0209    0.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6939   -2.1988   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2709   -2.4644   -0.8071 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