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
   -3.4684    0.8885    0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -0.4893   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642   -0.6528   -0.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0681   -1.7504   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233   -3.0743   -1.1629 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6948   -1.7265   -0.5741 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2510   -0.1321    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187    0.7548    0.3766 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    0.1636    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5559   -0.7430   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    1.4731    0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7785    1.5883   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3294    0.8458    0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5930    1.3512    0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6873   -1.2219    0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5005   -0.5320   -1.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -1.6953   -0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6255   -0.5753   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2794    2.0445    1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762    2.0990   -0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8991    1.3840    1.4995 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