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
    4.8911    0.1526    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643    0.5712    0.7122 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0582   -0.5422   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   -1.7684   -0.9807 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6327   -0.3536    0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -1.4478    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147   -1.2962    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137   -0.0843    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3478    1.0243   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    0.8746   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5765    0.0133    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2398    1.1270    0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790    0.6103    1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9880   -0.9511    0.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082    0.6011   -0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073   -2.4524    0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240   -2.1960    0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7923    2.0030   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6202    1.7710   -0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1430   -0.8984    0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7992    2.1014    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3307    1.1407    0.3686 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