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
    4.8877    0.0755   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    0.1114   -0.7900 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522    0.0013    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5578   -0.1194    2.1383 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6318    0.0207    0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    0.8564   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842    0.9261   -0.9434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    0.1275   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6265   -0.7192    0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508   -0.7671    1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855    0.2073   -0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4212   -0.4955    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5278    0.7491   -0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2842   -0.9476   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    0.3452    0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8359    1.4929   -1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5103    1.6043   -1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686   -1.3659    1.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369   -1.4153    1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8272    0.8903   -1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1826   -1.1985    0.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4759   -0.3795   -0.2778 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