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
    4.1002   -0.1249   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718    0.0477    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -0.2059    0.3302 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3478    0.5682   -0.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    1.3517   -1.7026 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3747    0.7572   -1.1482 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4151   -0.1410   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977   -0.8009    0.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -0.1072   -0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4097    0.5874   -1.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710   -0.8479    0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5426    0.8285   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387   -0.6617    0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8160   -0.8021   -0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9558    1.1022    1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1134   -0.5765    1.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810    1.1384   -1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4608    0.6168   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8693   -0.2639    1.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3407   -1.8361    1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7543   -0.9933    0.2669 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