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
   -4.8622   -0.6292   -0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656    0.1903   -0.5147 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969   -0.7313    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3683   -2.1015    1.0981 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5930   -0.3363    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127   -0.0446   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330    0.3374   -0.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0974    0.4315    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998    0.1339    1.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1843   -0.2377    1.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4920    0.8231    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1509    1.1241   -0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2663   -0.3315    0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5638   -0.4383   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6531   -1.7360   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5800   -0.1043   -1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598    0.5599   -1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638    0.1928    2.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2951   -0.4720    2.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163    0.8672    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6753    1.0920   -1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1842    1.4105   -0.8667 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