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
    4.1302   -0.5753    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6923   -0.0990   -0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7258    1.4058   -0.6831 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0055    0.9490   -0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0514    1.7776   -0.3179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1881    1.0861   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299   -0.2444   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5031   -0.2868   -0.2245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8135   -1.1957    0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1390   -0.8474    0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4731    0.4883    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189    1.4556    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261   -1.5051    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9136   -0.0761    1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240   -0.6209   -1.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0635   -1.1659   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862   -2.2271    0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8819   -1.6361    0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5194    0.7964    0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    2.5209    0.0097 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