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
   -3.3702    0.3967   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795   -1.3691    0.2289 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8591   -2.0460    0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989   -3.6280    0.6842 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6992   -1.2005    0.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3441   -0.4982    1.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621    0.3208    1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    0.4748    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400   -0.2285   -0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -1.0709   -0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    1.3608    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489    1.5735   -0.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3244    0.7162   -0.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9481    0.9257    0.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8562    0.5878   -1.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9328   -0.6079    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    0.8695    2.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789   -0.1668   -1.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2633   -1.6263   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9399    1.9100    1.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2966    2.2336   -0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2446    1.0726   -1.6980 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