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
    4.9365    0.1765   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2358    0.1333   -0.8816 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722    0.0634    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518    0.0442    2.0039 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530    0.0227    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859   -0.0531    1.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6291   -0.0928    0.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028   -0.0583   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599    0.0180   -1.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    0.0579   -1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5337   -0.0991   -0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4411   -0.1697    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681    1.1062   -0.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9093    0.0554    0.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5231   -0.6649   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1116   -0.0796    2.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176   -0.1529    1.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5272    0.0459   -2.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9169    0.1178   -1.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112   -0.0671   -1.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5017   -0.1984   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2511   -0.2053    1.2667 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