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
    3.2240    3.2377    1.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    2.6620    1.0962 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    0.8952    0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0441    0.0614    1.4722 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036    0.1539    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9521   -0.9047   -0.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -1.6019   -1.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3933   -1.2504   -0.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -0.2000   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066    0.5018    0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -1.9884   -1.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7022   -1.6733   -1.4267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5052    2.4634    2.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0195    3.3561    1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053    4.1698    2.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -1.1927   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1136   -2.4288   -1.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222    0.1321    0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501    1.3177    1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2236   -2.8102   -2.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4837   -2.2429   -1.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0371   -0.8893   -0.7963 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