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
    4.0637    0.3742   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7498   -0.8964   -0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5536   -1.6095    0.9045 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290   -0.9264    0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547   -1.2973    1.3185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265   -0.6050    0.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7974    0.2157   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5255   -0.0217   -0.2770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7145    1.0267   -0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508    1.0428   -0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4840    0.2246    0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5582   -0.5909    1.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5960    0.9672    0.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7858    0.8302   -0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2303   -1.4900   -1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436    0.4502   -0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3849    1.6689   -1.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7897    1.6606   -0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5414    0.2263    0.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8752   -1.2504    2.0280 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