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
   -4.7538    1.1107    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818    1.3475    0.6937 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1705   -0.0237   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745   -1.2297   -0.7025 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946   -0.0853   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -0.4536   -1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160   -0.5217   -1.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216   -0.2048   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4836    0.1624    0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877    0.2226    0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550   -0.2890   -0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965   -0.0130    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3418    2.0192    0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0257    0.2761    1.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1010    0.8035   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969   -0.6988   -2.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -0.8145   -2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0620    0.4165    1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    0.5218    1.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9717   -0.5902   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4678   -0.0755    0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0191    0.2866    1.4159 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