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
    4.9043    0.0301    0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196   -0.6356    0.4563 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548    0.5639   -0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931    2.0155   -0.6564 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6318    0.2332   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396   -0.8406   -0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -1.1668   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1007   -0.3679   -0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907    0.6971    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488    1.0225    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145   -0.7197   -0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002   -0.0055    0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599   -0.5479   -0.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9012    1.1129    0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3988   -0.0889    1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8202   -1.4691   -1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5627   -2.0276   -1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465    1.3537    1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0946    1.8883    1.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7988   -1.5957   -0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272    0.8431    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4345   -0.2950    0.3389 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