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
   -4.3385   -0.6673    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9462   -0.1278    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4576    0.3505   -1.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785    0.8787   -1.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497    2.3287   -1.7549 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1447   -0.0420   -0.3370 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7055    0.7828   -0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8133    1.9040   -1.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885    0.1569    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0536    0.7552   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997   -1.1613    0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8222   -0.5429    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9083   -0.1601   -0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2366   -1.7680   -0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682    0.7287    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2059   -0.8729    0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1218    1.7170   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    0.3086    0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -1.0698    1.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9848   -1.7926    0.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7515   -1.7064    0.4771 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