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
   -3.5084    0.8006    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -0.7260    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068   -1.1343    0.9259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438   -0.7403    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3880   -1.6189   -0.8095 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1561    0.5985    1.1230 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4716    1.0467    0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7439    2.3089    1.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071    0.3250    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872    0.9811    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542   -1.1199   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5201    1.2216   -0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492    1.1795    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2885    1.0291   -0.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4734   -1.1148   -0.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2342   -1.0692    0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    0.4995   -0.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330    2.0217    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -1.4929    0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572   -1.3361   -1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0338   -1.6597    0.7180 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