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
    2.4992    0.5554    0.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288   -0.1791   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318   -0.4266   -1.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525   -0.6155   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.2328   -1.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1806   -0.3538    0.8638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5124   -0.7795    0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3970   -0.2120   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    1.2795   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9899    0.4191    0.4656 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    1.5152    0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.0579    1.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5595    0.7807    0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820   -0.9519   -2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479   -0.1074   -1.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -0.5076    1.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5335   -1.9020    0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986   -0.8039   -1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    1.7255   -1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8883    1.8546    0.4336 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