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
   -4.9311   -0.0744    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3017   -0.1520   -0.5784 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0679    0.1143    0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5549    0.3739    2.2021 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6392    0.1125    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104   -1.0289    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4801   -1.0099   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1284    0.1856   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.3732    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0493    1.2992    0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598    0.2732   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3040   -0.7921   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6683    0.2291   -0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0118    0.6838    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2514   -1.0384    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3861   -1.9820    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213   -1.9545   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8986    2.3257   -0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4721    2.2607    0.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0319    1.2525   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3758   -0.6657   -0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313   -1.7859   -0.5077 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