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
    3.5982    0.8782    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7549   -0.2839   -0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0091   -0.8019    0.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -1.8524    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537   -3.3665    0.7191 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -1.6972    0.3496 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063    0.0098    0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105    0.8810    0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4791    0.4251    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7912    1.6965   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5995   -0.5656   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040    1.8019    0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4048    1.1229   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1093    0.6497    1.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418    0.0729   -1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438   -1.0544   -0.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0118    2.4322    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8052    2.0169   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1450   -0.6076    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2823   -0.1783   -0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2200   -1.5794   -0.3199 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