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
    4.8775    0.6547   -0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    0.7832    0.5989 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726   -0.1218   -0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6755   -0.8985   -1.7563 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6391   -0.2037   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303   -1.4226    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3287   -1.5021    0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1119   -0.3463    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    0.8252   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362    0.9212   -0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5233   -0.4666    0.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3440    0.5446    0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9372    1.2823   -0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6153    0.9870    0.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1062   -0.3946   -0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763   -2.2997    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7718   -2.4455    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608    1.7169   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3135    1.8508   -0.5998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -1.4307    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    1.5157    0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4191    0.4505    0.5520 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