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
    4.0032    0.9255    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -0.3802    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.9607    1.3876 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474   -0.6218    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1609   -0.9423    1.5229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2647   -0.5772    0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7965   -0.0102   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5477   -0.0450   -0.3458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6561    0.4887   -1.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174    0.4020   -1.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002   -0.1561    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6289   -0.6493    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    1.6255    0.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993    1.2916   -0.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2362   -1.0692   -0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239    0.2888   -1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.9249   -2.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7132    0.7794   -1.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5758   -0.2237    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9873   -1.0907    2.0013 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