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
    3.6083   -0.8205    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451   -1.4017    1.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7225   -1.5386    1.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204   -0.4454    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3229    0.9882    1.8347 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5502   -0.6266    0.2362 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176    0.9173    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9382    1.9308    0.6666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507    0.9735   -0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2906    2.1151   -0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1456   -0.2792   -1.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734   -0.7334   -0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747   -1.4563   -0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    0.2342    0.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915   -2.4155    1.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -0.7799    2.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2088    2.1764   -1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8860    2.9830   -0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186   -0.0914   -2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -0.7854   -1.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5699   -0.9444   -0.5187 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