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
    3.3012    0.7158    0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256   -0.6752   -0.4488 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403   -1.4708   -1.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2204   -2.7508   -1.9943 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589   -0.9636   -0.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1812   -0.0382   -1.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451    0.4746   -0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889    0.0438    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9183   -0.8918    1.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2974   -1.3889    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8570    0.5322    0.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5693    1.4003    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    1.2971    0.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    0.3983    1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    1.4522    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6225    0.2900   -2.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5306    1.1919   -1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213   -1.2533    1.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8429   -2.1173    1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2616    0.1615    1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    1.8231   -0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5386    1.7691    0.3909 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