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
    4.9058   -0.3119   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -0.7882   -0.4177 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    0.5008    0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    1.8988    0.7255 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434    0.3487    0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1316    1.2945   -0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947    1.2011   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1712    0.1116   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893   -0.8235    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -0.7278    0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6140    0.0365   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2822   -0.9556    0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1619    0.5072   -0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1614   -0.0286    0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273   -1.2238   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    2.1472   -1.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0882    1.9485   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8589   -1.7021    1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5892   -1.4843    1.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1840    0.8247   -0.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8045   -1.7502    0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3714   -1.0234    0.2331 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