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
    4.9226    0.4786   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2398    0.6045   -0.8323 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -0.0727    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877   -0.6791    1.7432 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641   -0.1283    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1971    0.8223    0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755    0.7588    0.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1327   -0.2678   -0.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2674   -1.2429   -0.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0734   -1.1577   -0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -0.4171   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4113    0.4658   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0462    1.1999    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6890    0.6637   -0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1134   -0.5450    0.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946    1.6517    1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2203    1.5219    0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676   -2.0729   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816   -1.9089   -0.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9113   -1.2954   -1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992    1.3124    0.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4662    0.3083   -0.2511 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