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
   -2.7353    1.0726   -0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255    0.2562    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3753   -0.0239    1.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6203   -0.2457   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925    0.0184   -1.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -1.0011    0.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364   -1.4306    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841   -0.3668   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341    0.6529    0.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522   -0.5801    0.6243 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    1.8870   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714    0.4735   -1.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5811    1.5025   -0.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3436    0.3494    1.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089   -0.6041    2.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442   -2.1750   -0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871   -2.0281    1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    0.0015   -1.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613    1.6959    0.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    0.5453    1.9575 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