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
    4.0034    0.7790   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    1.0689   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378    0.7044    0.4282 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160   -0.5501    0.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493   -1.3462    1.6327 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -1.3016    0.7949 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382   -0.2324   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9322    0.9093   -0.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7067   -0.6266   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1303   -1.8000    0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512    0.2908   -0.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0439    0.6825    0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6817    1.6440   -0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4286   -0.1050   -0.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3639    0.6548   -1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002    2.1863   -0.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.4877    0.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1465   -2.0899   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1287    1.2067   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1410   -0.1884   -1.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4913    0.6011   -0.2484 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