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
    4.7844    0.8480    0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0246    1.0643    0.1821 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1455   -0.4876    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762   -1.9351    0.3107 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7051   -0.4390   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0915   -0.0114    0.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4779    0.0459    0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072   -0.3094   -0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2654   -0.7363   -1.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035   -0.8008   -1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5504   -0.2595   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167    0.1260    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1582   -0.1571    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0116    1.0115    1.5295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324    1.6615   -0.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533    0.2796    1.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1075    0.3862    1.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7394   -1.0272   -2.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7282   -1.1430   -2.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161   -0.5725   -1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707    0.1424    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0801    0.4354    1.2932 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