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
    4.8367   -0.6863   -0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6593   -0.1296   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541   -0.6859    0.9849 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275   -0.3943    0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644   -1.2267    0.1416 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538   -0.7033    0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    0.5377    0.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522    0.7056    1.0597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353    1.3462    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3615    0.9595    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5122   -0.2759   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811   -1.0897   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1862   -1.4610    0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4384   -0.3341   -1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2768    0.6647   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    1.5748    1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0601    2.3236    1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2488    1.5887    0.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4534   -0.6445   -0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -2.0696   -0.8381 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