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
   -3.2914    0.0782    1.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034    0.3427   -0.1759 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4249    0.3913   -1.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7545    0.6271   -2.8873 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381    0.2310   -0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141   -0.8675   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.0143    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336   -0.0361   -0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    1.0790   -0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987    1.1930   -1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -0.2471    0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310    0.6185    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1227    0.3952    2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432    0.5614    1.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650   -1.0129    1.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3165   -1.6593    0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.9001    0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9440    1.8716   -0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646    2.0884   -1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2309   -1.1491    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    1.5258   -0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9380    0.4463    0.5264 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