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
    4.8837   -0.0070    0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1615    0.3382    0.8662 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108   -0.3927   -0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7715   -1.2020   -1.6044 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619   -0.2853   -0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0317    0.9099   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403    1.0659    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1428   -0.0349   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -1.2594   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1679   -1.3755   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5931    0.0195   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2920    1.0996    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5314    0.8620    0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9510   -0.3249   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1966   -0.8956    1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6644    1.7742    0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842    2.0364    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1126   -2.1594   -0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199   -2.3279   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1420   -0.9210   -0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7902    2.0220    0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3812    1.0579    0.2241 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