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
    4.9155   -0.6116   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -1.0926   -0.0813 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1176    0.3279    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8177    1.7962    0.2144 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6719    0.1814    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038    1.2081   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5913    1.0522   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309   -0.1597    0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2471   -1.1882    0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021   -1.0388    0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5632   -0.3699    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4378    0.5824    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3028   -0.3037    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5417   -1.4000   -0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671    0.3428   -0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305    2.1653   -0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654    1.9113   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943   -2.1452    0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7912   -1.8578    0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9535   -1.3463    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1359    1.5760   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5147    0.3703    0.2268 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