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
    3.8411   -0.5223    0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    0.5809   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7372    0.3836   -0.2821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1047   -0.6980   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9775   -1.8701   -1.5245 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6578   -0.8298   -0.7894 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3356    0.6003    0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798    1.5028    0.4755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7694    0.7318    0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2443    1.8023    0.8091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6559   -0.3351   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056   -0.1290    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2399   -0.8639    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393   -1.3362   -0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995    1.5303    0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773    0.7315   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910    2.5737    1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3058    1.8850    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6715   -0.1385    0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181   -0.2191   -1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3169   -1.3440   -0.0245 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