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
   -3.9130   -0.0004    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6602   -0.8158    0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986   -0.5309   -0.5704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864    0.7867   -0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4567    1.9779   -1.0033 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.1605   -0.5552 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3129   -0.2928   -0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084   -1.4366   -0.1312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415   -0.1605   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4750   -1.2157    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3564    1.1819   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8589    0.9860    0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7581   -0.5404    0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2106    0.1498   -0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1954   -0.5436    1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801   -1.9019    0.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331   -2.1983    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408   -1.1197    0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3684    1.0984   -0.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543    1.5900    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6957    1.8251   -0.8087 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