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
    4.8480   -1.0538   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275   -1.3179   -0.5446 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1287   -0.0369    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8110    1.1686    1.0469 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6813    0.0445   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1298    0.7389    0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084    0.8112    0.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    0.1860   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957   -0.5071   -1.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0775   -0.5851   -1.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5578    0.2202   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3972    0.8632    0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2861   -0.1346   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310   -0.9155    1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864   -1.9261   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600    1.2311    1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0999    1.3666    1.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -1.0001   -2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855   -1.1382   -1.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9903   -0.2998   -1.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0822    1.4059    1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4612    0.8791   -0.0412 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