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
    3.2587    1.0513   -0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153   -0.3929    0.4863 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908   -1.3334    0.9123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   -2.7136    1.7728 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730   -0.8591    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.5582   -0.8461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239   -0.1191   -1.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655    0.0406   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685   -0.2709    1.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0161   -0.7179    1.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8660    0.5091   -0.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8577    0.6646    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    1.3235   -0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8967    1.9109   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3922    0.9284   -1.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257   -0.6809   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7365    0.1206   -2.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0351   -0.1706    1.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -0.9577    2.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9906    0.7267   -1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8268    0.4759    1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8238    1.0226   -0.2604 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