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
   -2.7699    0.7332    0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682   -0.0944   -0.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9527   -0.8120   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7163   -0.0613   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2071   -0.7514   -1.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    0.7037    0.5332 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4589    0.7879    0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637   -0.5323    0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6823   -0.4114    0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944   -0.9697    2.0884 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395    1.7849    0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3217    0.4179    1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8599    0.7020    0.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5279   -1.4136   -1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0149   -0.7937   -0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    1.1604   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8131    1.5100    1.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7051   -1.3669    0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1398    0.5849    0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282   -1.1783   -0.0762 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