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
    4.8323   -0.2179    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0939   -0.4205    0.6282 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0661    0.4835   -0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7564    1.3330   -1.7017 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186    0.4786   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422    0.0884    0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3444    0.0822    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1384    0.4628   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799    0.8636   -1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    0.8567   -1.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5746    0.4546    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1660    0.0967    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4672   -0.9471    0.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9324   -0.4749   -0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215    0.7827    0.4059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820   -0.2125    1.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6945   -0.2388    1.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2174    1.1589   -2.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    1.1592   -2.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1777    0.7581   -0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2613    0.0966    1.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -0.2159    1.9926 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