Monomers

2-Propenoic acid, 2-methyl-, thiiranylmethyl ester

Identifiers

IUPAC name
thiiran-2-ylmethyl 2-methylprop-2-enoate
InchI
InChI=1S/C7H10O2S/c1-5(2)7(8)9-3-6-4-10-6/h6H,1,3-4H2,2H3
InchI Key
OXUABORVCCLQJI-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC1CS1
Canonical SMILES
CC(=C)C(=O)OCC1CS1
Isomeric SMILES
CC(=C)C(=O)OCC1CS1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2S
Heavy Atom Count
10
Molecular Weight
158.222
Exact Molecular Weight
158.0402
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.2211
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.3391    0.9270    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1134    0.1027    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1507   -0.9239    1.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9198    0.4372   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    1.4275   -0.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552   -0.3000    0.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495    0.1112   -0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -0.7511   -0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7499   -0.3271   -1.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0344   -1.8097   -1.9466 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6398    1.3732    1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1961    0.3263    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1922    1.7699   -0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2562   -1.5321    1.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0609   -1.1248    2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0493    0.1346   -1.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6348    1.1524   -0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7719   -1.2013    0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7426   -0.4014   -0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912    0.6096   -1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  8  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers