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
    4.7282    0.4009    0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526    0.2289    1.2374 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    0.3173   -0.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8671    0.5173   -1.7460 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509    0.2013   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    1.3286   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658    1.2282   -0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -0.0162   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2876   -1.1215   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0983   -1.0282   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5489   -0.0608   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2066   -1.1724   -0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2510    0.1777    1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    1.4148    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839   -0.3616    0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540    2.2839   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1002    2.0869   -0.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407   -2.0944    0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980   -1.9400   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0989    0.8633   -0.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7055   -2.0995   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2800   -1.1545   -0.1499 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