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
   -3.3386    0.6966    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6022   -1.0799    0.4033 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0512   -1.9169    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9574   -3.5294   -0.0913 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8153   -1.1491    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6574   -0.3529   -1.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4958    0.3746   -1.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151    0.3576   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3243   -0.4438    0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.1999    0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.1674   -0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6866    1.1992    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408    0.9076    0.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8354    1.1348    1.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7010    1.2559   -0.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131   -0.3054   -1.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6092    0.9996   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628   -0.4992    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0237   -1.8283    1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708    1.7643   -1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5885    1.8154    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6722    0.6318    1.2890 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