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
   -3.4244    1.1887    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7793   -0.5265   -0.0175 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3255   -1.4891   -0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -3.0702   -0.7018 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796   -0.9423   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067    0.2936   -0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380    0.8506   -0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6175    0.1753   -0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942   -1.0537    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090   -1.5974    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9208    0.7876   -0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0326    0.2686   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4543    1.3725    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5826    1.8175   -0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1996    1.5644    1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5339    0.8400   -1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    1.8364   -1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -1.6010    0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0404   -2.5633    0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    1.7802   -0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044   -0.6965    0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9848    0.7646   -0.0693 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