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
   -2.6742    0.6614   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720   -0.5396    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354   -1.5511    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4643   -0.6630   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969   -1.7040   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992    0.3656   -0.9049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707    0.2435   -1.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    0.0177   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5126    1.0571    0.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9531    1.0966   -0.0572 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0654    1.5433   -0.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2016    0.9367    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4528    0.4710   -0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8858   -2.4454    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665   -1.4961    1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761    1.1214   -1.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6627   -0.6353   -1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444   -1.0493    0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    1.8390    0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6992    0.7305    2.0420 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