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
   -3.4858    0.4558    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5361   -1.3381    0.4936 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8859   -2.0308    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6652   -3.6348    0.3939 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6925   -1.1748    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6325   -0.2503   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4599    0.5702   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    0.4743    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068   -0.4588    1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098   -1.2966    1.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6450    1.3589    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6836    1.3602    0.8192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1787    0.8097    1.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5024    0.8814    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8497    0.9091   -0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -0.1927   -1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5223    1.3128   -1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2062   -0.5580    1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677   -2.0174    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6603    2.0805   -0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7334    0.6698    1.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954    2.0697    0.6310 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