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
    4.8581    0.5404   -0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1105    0.8844   -0.5656 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1342   -0.3282    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471   -1.5317    1.1715 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6659   -0.2996    0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896   -1.4173    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -1.4050    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1535   -0.2594    0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199    0.8654   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0259    0.8464   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6006   -0.2476    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3148    0.8098   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    0.7920    0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864    1.1105   -1.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0106   -0.5587   -0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474   -2.3281    0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -2.3369    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8579    1.8082   -0.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665    1.7323   -0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1326   -1.1782    0.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4151    0.7420   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8678    1.7594   -0.4329 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