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
   -3.3592    0.5546    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -0.0950   -0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045   -1.1967   -0.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397    0.5178    0.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136    1.5775    1.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954   -0.0613    0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5699    0.5415    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -0.2832    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192   -0.4988   -1.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1828    0.6961   -0.2572 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2127   -0.0940   -0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4194    1.4436   -0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4052    0.8459    1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588   -1.6659   -1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8936   -1.6265   -1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6676    1.5349    0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234    0.5551    1.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087   -1.1260    1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -0.1563   -1.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336   -1.4633   -1.3838 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