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
   -4.7978   -0.0710    1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0108   -0.2533    1.3138 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    0.2969   -0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9598    0.8900   -1.4343 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893    0.2158   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0519    1.1621   -0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4197    1.1342   -0.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    0.1031   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785   -0.8320    0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0108   -0.7948    0.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833    0.0768   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3206   -0.8442    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0692    0.9709    1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1755   -0.4181    0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2543   -0.6797    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112    1.9494   -1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012    1.8707   -1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9094   -1.6418    0.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132   -1.5606    0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0811    0.8669   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4191   -0.8085    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8564   -1.6328    0.7383 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