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
    4.0615    0.4635    0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710   -0.4940   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273    0.0216    0.1281 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1969    1.2179   -0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1480    2.4607   -0.7188 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786    1.3658   -0.4249 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3851   -0.1388    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6810   -1.1301    0.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8248   -0.2033    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283    0.8287   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4926   -1.4512    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420    0.9617   -0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -0.1475    0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6594    1.1965    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047   -0.6963   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827   -1.4904    0.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852    1.7732   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6261    0.8275   -0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6106   -1.3374    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1548   -1.8022    1.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591   -2.2256   -0.3037 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