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
    4.7774   -0.3653   -1.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.9245   -0.8125 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    0.4977   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6871    1.9894   -0.6724 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6408    0.3592   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0922   -0.7458   -0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443   -0.8781   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0732    0.1413    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504    1.2610    0.7857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150    1.3779    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4816    0.0445    0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2348   -0.9806    0.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8039    0.7358   -1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0954   -0.8287   -2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4941   -0.7324   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4151   -1.5442   -1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9608   -1.7794   -0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8401    2.0735    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521    2.2612    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9489    0.8894    1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2747   -0.9813    0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9106   -1.8705    0.0007 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