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
    4.4655   -0.7199    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067    0.0224   -0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0330   -0.6920    0.2082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8213   -0.0736   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4249    0.1641   -1.6190 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939    0.4180    1.2763 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650    0.8142    0.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3278    1.8508    1.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7465    0.1347    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051   -0.9681   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1155    0.7262   -0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2669    0.0289    0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948   -1.2563   -0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3686   -1.3971    1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1577    0.9924    0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003    0.2076   -1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1416   -1.4239   -1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4907   -1.5024   -0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8642   -0.0570   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0835    1.3538   -1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4060    1.3772    0.6433 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