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
    4.8227    0.3663    0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190    0.9175    0.8494 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503   -0.3092    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7013   -1.6584   -0.4965 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061   -0.0999    0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428    0.3524   -1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.5682   -1.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1348    0.3394   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5599   -0.1225    1.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2055   -0.3233    1.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5682    0.5609   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1504    0.9836   -1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9834   -0.3398   -0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4892    1.2262    0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688   -0.1935    1.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6846    0.5363   -1.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938    0.9209   -2.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -0.3097    2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2601   -0.6797    2.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1412    0.3520    0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2264    1.1409   -1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6280    1.1954   -2.0629 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