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
   -3.9627   -0.7251   -0.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2364   -1.6721    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768   -0.8883    0.8621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3656   -0.0963    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340    1.0707   -0.7532 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2914   -0.3776    0.9100 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    0.7384    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706    1.5628   -0.6987 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8132    0.6965    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2555   -0.1827    1.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7991    1.6089   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9385   -1.1667   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -0.4872   -1.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1402    0.2147   -0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9831   -2.1488    0.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060   -2.4567   -0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -0.2569    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873   -0.8676    1.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4387    2.0430   -1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562    2.3986    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7120    0.9924   -0.4319 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