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
   -3.3588   -0.2375   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0447    0.2203   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9707    1.3037    0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -0.5657   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360   -1.6031   -1.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4152   -0.2016    0.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -0.9959   -0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8187   -0.4552    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1776    0.9678   -0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7599    1.4826 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9745    0.5779   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2460   -1.0287   -1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8821   -0.7239    0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8508    1.8791    0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063    1.6538    1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5977   -0.9427   -1.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4079   -2.0520   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6628   -1.1969    0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3955    1.5230   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2113    1.1177   -0.6546 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