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
    4.7949   -0.5352    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0810   -1.0569    0.5959 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    0.3764    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256    1.8369    0.1085 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716    0.2218   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813   -0.1518    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5540   -0.2978    0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036   -0.0815   -0.5411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2188    0.2982   -1.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1272    0.4414   -1.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5207   -0.2322   -0.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3372   -0.5857    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0262   -0.3959    1.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9547    0.4351    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5132   -1.2658    0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2379   -0.3261    1.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -0.5953    1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6582    0.4668   -2.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8134    0.7356   -2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8891   -0.0460   -1.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1069   -0.7977    1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4052   -0.6830   -0.1110 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