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
    3.1351   -0.3550    1.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5580   -1.1515   -0.0909 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009   -1.2143   -1.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -1.8940   -2.5866 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536   -0.6654   -0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2467   -1.4995   -0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595   -1.0511   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218    0.2673    0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5158    1.0554    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266    0.6331   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287    0.6790    0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1783    1.8837    1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789   -0.7855    2.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3134    0.7404    1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0617   -0.5247    1.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313   -2.5385   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3211   -1.7276   -0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6109    2.0933    0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5703    1.3083   -0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7407   -0.0398    0.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4132    2.6344    1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1574    2.1520    1.6368 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