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
   -4.9206    0.1094    0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2689    0.0911   -0.3789 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0497   -0.0913    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051   -0.2121    2.4448 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6198   -0.1403    0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227    0.9277    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3732    0.8842   -0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1518   -0.2172    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -1.3087    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1602   -1.2387    0.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5756   -0.2770   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782    0.7342   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6455   -0.1380   -0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1533    1.0923    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9205   -0.7044    1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824    1.8146   -0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104    1.7741   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   -2.1651    0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557   -2.0865    1.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1092   -1.1734   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2590    0.6508   -1.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7567    1.6742   -1.1197 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