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
    4.0220    0.4237    0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3705   -0.9106    0.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1989   -0.7819    1.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.0361    0.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    1.5946    0.5240 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -0.6220    0.5896 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817    0.6179    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407    1.7816   -0.1449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9577    0.2396   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8225    1.1246   -0.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815   -1.1573    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974    1.0994    1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1335    0.2363    0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7715    0.9231   -0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746   -1.2937   -0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375   -1.6768    0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5259    2.1374   -0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8370    0.8428   -0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4661   -1.2524    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8399   -1.6320    0.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1912   -1.7305   -0.9318 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