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
    4.9545   -0.0016    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914    0.2951    0.6553 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482   -0.1965   -0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5222   -0.8236   -1.9639 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6274   -0.0577   -0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0738    1.0410   -0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4232    1.1980   -0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    0.2410    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -0.8517    0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756   -1.0125    0.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5715    0.4592    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2974   -0.4024    1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791   -0.7706    0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9337   -0.2986   -1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9391    0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4463    1.8298   -1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620    2.0736   -0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755   -1.6220    1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3958   -1.9158    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0236    1.3802    0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8858   -1.2971    1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3469   -0.2068    1.2275 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