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
    4.9238   -0.4044    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3111   -0.2143   -0.3728 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9982   -0.1541    0.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3923   -0.2736    2.4028 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6268   -0.0011    0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288    0.6571   -0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840    0.7786   -1.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0572    0.2745   -0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540   -0.3760    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -0.5019    1.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4315    0.4344   -0.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4715   -0.0242   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1490   -1.4752    0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6754    0.0517   -0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9953    0.1450    1.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527    1.0582   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2286    1.2948   -2.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409   -0.7888    1.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821   -1.0139    2.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5659    0.9600   -1.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4300   -0.5565    0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4649    0.1298   -0.7600 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