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
    4.6918   -0.2369   -1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490   -0.2921   -0.0867 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    0.2228   -0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    0.6570   -2.5149 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5087    0.2402   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376    1.2524    0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720    1.2110    1.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064    0.2017    1.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6127   -0.7934    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3886   -0.7601   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1714    0.2019    1.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604   -0.7262    1.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3993   -1.0441   -0.8288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3787   -0.4421   -2.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625    0.7600   -1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    2.0340    0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2365    1.9770    2.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020   -1.6237   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918   -1.5767   -1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3806    0.9937    2.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9679   -1.5677    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0083   -0.6885    2.1502 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