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
   -3.3674   -0.5046    0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    0.1423   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624    1.4059   -0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8728   -0.6510   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8884   -1.8534    0.2822 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816   -0.1342   -0.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584   -0.9207   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -0.1653   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1865    1.0659    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   -0.3987    0.4157 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2466    0.0161   -0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358   -0.4467    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775   -1.5880   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1331    1.8960   -0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    2.0214   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922   -1.8156   -0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6451   -1.2666    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -0.0699   -1.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361    1.8841   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    1.3830    0.8114 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