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
    4.7608    0.7030    0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    0.3962    1.2039 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079    0.2789   -0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163    0.4503   -1.7185 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6803    0.0345   -0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505   -0.9703   -1.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2056   -1.1847   -1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0794   -0.4464   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444    0.5508    0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1613    0.7815    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839   -0.7664   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3451   -0.1139    0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4106    0.5275    1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0464    0.0369    0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    1.7919    0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945   -1.5730   -1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6318   -1.9661   -1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1808    1.1437    1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2147    1.5784    1.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8291   -1.5694   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729    0.6888    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3936   -0.3724    0.4201 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