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
    4.7022    0.8764    1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581    1.2128    0.6948 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1056   -0.2886    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819   -1.7208    0.1912 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810   -0.2761   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2287   -0.6582   -1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1396   -0.6338   -1.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0431   -0.2363   -0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5764    0.1448    0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    0.1240    0.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -0.2285   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3825    0.1378    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9291   -0.2000    1.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873    1.3263    1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3089    1.3855    0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262   -0.9743   -2.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -0.9313   -2.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031    0.4699    1.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396    0.4234    1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657   -0.5387   -1.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4300    0.1234   -0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1490    0.4623    1.0097 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