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
    4.7693   -0.7278    0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096   -1.0355    0.3160 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0811    0.3188   -0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962    1.6105   -0.9980 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356    0.2576   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754    0.3794   -1.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444    0.3168   -1.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0949    0.1383   -0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3681    0.0192    0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088    0.0811    0.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5463    0.0782   -0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176   -0.0872    0.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3521   -1.2811    0.9129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054    0.3577    0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0731   -1.0857   -0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550    0.5193   -2.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0233    0.4129   -2.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182   -0.1229    1.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -0.0159    1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0664    0.1822   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3021   -0.1211    0.9249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7963   -0.1951    1.9545 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