Monomers

(Methacryloylthio)thioformic acid O-ethyl ester

Identifiers

IUPAC name
O-ethyl 2-methylprop-2-enoylsulfanylmethanethioate
InchI
InChI=1S/C7H10O2S2/c1-4-9-7(10)11-6(8)5(2)3/h2,4H2,1,3H3
InchI Key
ORGODPPLMFMXRB-UHFFFAOYSA-N
SMILES
CCOC(=S)SC(=O)C(=C)C
Canonical SMILES
CCOC(=S)SC(=O)C(=C)C
Isomeric SMILES
CCOC(=S)SC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2S2
Heavy Atom Count
11
Molecular Weight
190.289
Exact Molecular Weight
190.0122
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.1437
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.5556    0.5759   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -0.8291    0.2256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0169   -1.2662   -0.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933   -0.5156   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311   -0.6082    1.4067 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2099    0.5366   -1.3149 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286    1.0307   -0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7712    2.2752   -0.9088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4351    0.1235   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2394   -1.1702   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7355    0.6491    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580    1.2996    0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2731    0.6705   -1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508    0.7274   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381   -0.8386    1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765   -1.4970   -0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559   -1.7098   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241   -1.8562    0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8466    1.7370   -0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8240    0.5137    1.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5844    0.1518   -0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers