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
    4.8405   -0.3361    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1287   -0.8135    0.3926 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632    0.6240    0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093    2.1091    0.2948 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354    0.4542    0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309   -0.5941    0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3988   -0.7976    0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1182    0.0679   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561    1.1306   -0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    1.3197   -0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387   -0.0857   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2453   -1.0623    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4683   -1.2362    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    0.1807    1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1331    0.3820   -0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5493   -1.2952    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   -1.6441    1.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545    1.8173   -1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    2.1436   -1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0874    0.6239   -1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8267   -1.8350    0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3143   -1.1532   -0.0735 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