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
    4.3810   -0.1702   -1.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989   -0.4079   -0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    0.8106   -0.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    0.7136    0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    1.1965    2.0224 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2113    0.0564   -0.3927 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5913    0.0516    0.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671    0.4701    1.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8734   -0.4445    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9776   -0.8750   -0.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0188   -0.4494    1.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2545    0.5381   -2.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1568    0.2444   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7343   -1.1513   -1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321   -1.1202   -0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472   -0.8594    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412   -1.2406   -1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340   -0.8672   -1.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3883    0.5940    1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8040   -1.1325    0.8563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212   -0.7439    2.2411 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