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
    3.2760    0.6483    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4939   -1.0089    0.8391 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9295   -1.8530    0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7838   -3.3734    1.4741 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359   -1.1650    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777   -1.7716   -0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051   -1.1226   -0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    0.1415   -0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7386    0.7032    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4058    0.0741    0.9579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8008    0.7617   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009    1.9281   -0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1158    0.8537   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2809    1.4381    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421    0.7566   -0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958   -2.7667   -0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554   -1.5911   -1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989    1.6922    0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0452    0.5739    1.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3808    0.2180   -1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6527    2.4979    0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1085    2.3648   -0.9088 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