Monomers

Me-thyl 4-vinyldithiobenzoate

Identifiers

IUPAC name
methyl 4-ethenylbenzenecarbodithioate
InchI
InChI=1S/C10H10S2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InchI Key
DDKLKPSTAGADGR-UHFFFAOYSA-N
SMILES
CSC(=S)c1ccc(cc1)C=C
Canonical SMILES
CSC(=S)C1=CC=C(C=C1)C=C
Isomeric SMILES
CSC(=S)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10S2
Heavy Atom Count
12
Molecular Weight
194.324
Exact Molecular Weight
194.0224
Valence Electrons
62
Radical Electrons
0
tPSA
0.0
MolLogP
3.3681
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.3015    0.6248   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419   -1.1349   -0.0113 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0086   -1.9514    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -3.5255    0.6751 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7803   -1.2007    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1439   -1.2883    1.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249   -0.6021    1.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368    0.2453    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7343    0.3497   -0.7979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683   -0.3688   -0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884    0.9851    0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092    1.7783   -0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3638    0.9600    0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444    1.1645    0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3348    0.7367   -1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -1.9388    2.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0506   -0.6765    2.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8901    0.9815   -1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -0.2604   -1.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671    0.8631    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892    1.9345   -1.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1548    2.3238   -0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  3
 10  5  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers