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
   -4.0117   -0.3475   -0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7600    0.4492    0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5378    0.1142    1.8285 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8902    0.0508    1.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594   -0.1793    1.7626 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2904   -0.1532    0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    0.1066   -0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560    0.2218   -0.1790 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6023    0.1952   -1.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623    0.0282   -1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4907   -0.2323   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -0.3173    0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4400   -1.2714   -0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7684   -0.0778   -1.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3116    1.3850    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327    0.4191   -0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1673    0.3975   -2.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6470    0.0887   -2.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664   -0.3609   -0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.5167    1.9506 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