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
    4.1119    0.1749   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228   -0.7563   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368   -0.2298   -0.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2468    0.8693    0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606    1.9561    1.1981 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5054    1.1406    0.6677 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4284   -0.1674   -0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866   -1.1012   -0.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730   -0.1960   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5192   -1.1801   -0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6461    0.9012    0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869    1.1816   -0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9092    0.2848    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6626   -0.3062   -1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020   -1.1075    1.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0318   -1.7097   -0.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0062   -2.0180   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5987   -1.2262   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201    1.0750    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6721    1.8136   -0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7156    0.6013    0.6508 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