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
    4.1660    0.2342   -0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7474    0.2906    0.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    1.3642    1.2214 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8291    0.7553    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820   -0.0529    1.5242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0561   -0.2890    0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0087    0.3778   -0.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1849    1.0229   -0.3929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0653    0.2856   -1.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1636   -0.4764   -0.9306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110   -1.1496    0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1590   -1.0544    1.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    0.8378   -1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644   -0.4284   -0.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2215   -0.3401    1.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    1.6195   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9714    0.8331   -2.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9664   -0.5260   -1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0888   -1.7349    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -1.5691    2.1128 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