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
    4.8213    1.0605    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897    1.2181   -0.2339 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1067   -0.1160    0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535   -1.2717    1.3063 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752   -0.2087    0.2196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1295    0.8967    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004    0.7645   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114   -0.4621   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152   -1.5698   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518   -1.4497    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5378   -0.6503   -0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3784    0.3370   -0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086   -0.0286    0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5051    1.5378   -0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9867    1.5025    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631    1.8659    0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0615    1.6594   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7815   -2.5663   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6614   -2.3364    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9422   -1.6650   -0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0394    1.3648   -0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4258    0.1177   -0.7200 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