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
    4.8130    0.6050   -0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276    0.8107   -0.8326 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1546   -0.2655    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617   -1.2461    1.2682 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913   -0.2616    0.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    0.7184   -0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122    0.7001   -0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404   -0.2787    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4137   -1.2708    0.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377   -1.2395    0.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875   -0.3227    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3294    0.5681   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    1.4852   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2677    0.6348   -1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0628   -0.3069   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129    1.5243   -0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212    1.4957   -0.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9734   -2.0544    1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761   -2.0309    1.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0721   -1.1414    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9061    1.3928   -0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4042    0.4835   -0.3718 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