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
    3.8807   -0.5146   -0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    0.8914    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637    0.7499    1.1121 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166   -0.0033    0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3867   -1.6326    1.0296 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953    0.8570    0.5440 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4779   -0.3576    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2097   -1.5723    0.4774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256    0.1169    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0574    1.3897   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9428   -0.8466   -0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923   -0.4921   -0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1413   -0.9393   -0.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122   -1.0789    0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9776    1.4027   -0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    1.4435    0.4039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    1.7570   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2815    2.1454    0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8948   -1.5543    0.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8357   -1.4437   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9120   -0.3180   -0.1149 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