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
    4.4724   -1.4844    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4132   -0.4743    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844   -0.7586    0.8573 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1115    0.1032    0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3059    1.7210    0.8852 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4725   -0.5457    0.2168 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662    0.7585    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3850    1.9658    0.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0327    0.4314   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3521   -0.8275   -0.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658    1.5217   -0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4479   -0.9593    0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055   -2.0087    1.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6003   -2.2297   -0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2798   -0.3729   -0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435    0.5166    0.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6237   -1.5984   -0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3572   -1.0713   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0622    1.0719   -0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8242    2.2807    0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0226    1.9599   -1.4997 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