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
    4.6939    0.2065    1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804    0.2933    1.3663 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1243   -0.0573   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0384   -0.3915   -1.4901 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6854   -0.0444   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0413   -0.8515    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4235   -0.8535    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907   -0.0764   -0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3537    0.7370   -1.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087    0.7378   -1.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5273   -0.1060   -0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2562   -0.8630    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0388    0.8737    0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387    0.5578    2.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0357   -0.8416    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721   -1.4736    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -1.5219    1.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    1.3775   -2.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6040    1.3724   -1.8854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0100    0.5353   -1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8931   -1.5345    0.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3572   -0.8059    0.0800 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