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
    4.5464   -0.7623    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4095    0.2206    0.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995   -0.2391   -0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1288    0.4862    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    2.0814    0.2363 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091   -0.3751   -0.1898 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8194    0.6855   -0.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6418    1.8970    0.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1465    0.1413   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1859    0.9642   -0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3687   -1.3236   -0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2608   -1.7867    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821   -0.6959   -0.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3930   -0.4152    1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371    1.1810    0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    0.4081    1.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    0.5504   -0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0613    2.0168   -0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4055   -1.5899   -0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1744   -1.5909   -1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030   -1.8536    0.1403 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