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
    4.7111    1.4451   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661    1.0182   -0.9895 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0415    0.4649    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6659    0.4137    1.8682 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647    0.0562    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4072    0.7693    0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7317    0.4000    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0092   -0.7424   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9475   -1.5010   -0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3433   -1.0970   -0.5287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3598   -1.1838   -0.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4050   -0.5512    0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7829    2.5275   -0.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5019    1.1762   -1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9563    0.8652    0.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941    1.6698    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4979    1.0545    0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471   -2.4116   -1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800   -1.6903   -0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204   -2.1087   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3971   -0.9293   -0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2966    0.3548    0.5723 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