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
   -4.5104    0.4671    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2067   -0.1089   -0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3339   -0.2715    0.6772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847   -0.7836    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9032   -2.3707    0.2343 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    0.2819    0.3541 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688   -0.6934    0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7164   -1.9515   -0.0996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0513   -0.0260   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1334   -0.7335   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1116    1.4446    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8005   -0.0804    0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3374    1.5303    0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3231    0.4068   -0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3635   -1.0829   -0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826    0.6170   -1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0748   -0.2272   -0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1036   -1.8001   -0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107    1.8728   -0.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856    1.6996    1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8728    1.8094   -0.6507 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