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
   -4.7422    0.9900    0.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520    1.1625    0.9370 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1703   -0.1778    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944   -1.2889   -0.6771 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7096   -0.2637    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0490    0.5720    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464    0.5223    0.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1116   -0.3751    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374   -1.2242   -0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0269   -1.1535   -0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5589   -0.5070   -0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3387    0.2458    0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0428    1.5158   -0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0375   -0.0710    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2910    1.4131    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4213    1.2960    1.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0189    1.1915    1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612   -1.9485   -1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6350   -1.8198   -1.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177   -1.2478   -0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282    0.1753    0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548    0.9931    1.3352 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