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
    3.4262    0.4578   -1.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471   -0.2903    0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -0.0570    0.9845 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179   -0.4791    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335   -1.9030   -0.2453 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.4635    0.8601 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429   -0.3754    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2697   -1.4721   -0.4004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553    0.2305    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8639    1.3809    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9891   -0.4067   -0.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1607    1.2727   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802   -0.2670   -2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4023    0.8767   -1.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7379   -1.4044   -0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.0150    0.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0219    1.9078    1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8375    1.8277    1.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3786   -1.1968    0.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7838    0.3544   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7498   -0.9053   -1.1992 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