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
    4.9027    0.2253    0.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    0.2949    1.3435 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1155   -0.1066   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696   -0.4640   -1.4729 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6707   -0.1479    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730    0.7240   -0.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639    0.7035   -0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -0.1807    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3780   -1.0662    0.9566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -1.0397    0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6064   -0.2285    0.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3779    0.5684   -0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3721    1.2177    0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9985   -0.3126   -0.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4541   -0.3966    1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    1.4704   -1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046    1.4227   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896   -1.7740    1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6080   -1.7358    1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0587   -0.9706    0.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9699    1.3109   -1.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4748    0.4852   -0.2585 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