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
   -4.8931   -0.0288   -0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2116   -0.6629   -0.6189 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913    0.4358    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6815    1.7632    0.9422 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587    0.1176    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1828   -1.1727    0.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687   -1.3934    0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0942   -0.3392    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168    0.9506    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2531    1.1485    0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5186   -0.6338    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4324    0.3031    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5571   -0.9242   -0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9295    0.6638    0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1869    0.4571   -1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -1.9828    0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5534   -2.4131    0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    1.8071    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1309    2.1827    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8224   -1.6712    0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.3489    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5053    0.0438    0.1644 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