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
   -3.3200   -0.7654   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0679    0.0238   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1169    1.2909    0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286   -0.6047   -0.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8321   -1.8293   -0.7314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3882    0.1022   -0.4387 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5298   -0.6354   -0.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7706    0.2279   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005    0.8688    0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2850   -0.4495   -0.0852 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7807   -0.6171    1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1344   -1.8420   -0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9842   -0.3304   -0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0359    1.7713    0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2066    1.8632    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.9920   -1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6613   -1.4828   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637    0.7471   -1.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5501    0.7546    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    1.8989    0.3116 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