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
    3.8369    0.8097   -0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502   -0.4117   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980   -1.6639   -0.2399 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310   -0.9905   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6639    0.2827   -0.3504 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595    0.4266   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693   -0.8095    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0947   -1.6429    0.2051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5096   -0.9744    0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706    0.0826    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8718    1.3275   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5335    1.5058   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0808    1.0694    0.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    1.5649   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6162   -0.6469   -1.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282   -2.6542    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -1.9342    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4352    0.0151    0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5281    2.1846   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1109    2.4592   -0.5543 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