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
    4.9134    0.3120   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333   -0.1684   -0.8398 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840    0.3803    0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6426    1.2163    1.6830 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620    0.0853    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1993   -1.1524   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1520   -1.3924   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105   -0.4240    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485    0.8049    0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2750    1.0448    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5240   -0.7266   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4862    0.1304    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5259   -0.5193   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4259    0.6571   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9801    1.1605    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407   -1.9249   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5011   -2.3686   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3409    1.5951    0.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482    2.0222    0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8135   -1.7374   -0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5268   -0.1310    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2768    1.1361    0.4330 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