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
   -3.4423   -0.8951    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2692    0.0154    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4766    1.3120    0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029   -0.5158    0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182   -1.7460    0.1850 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051    0.3162    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4859   -0.2505    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5825    0.7753    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9779    0.1728    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    1.0893    1.4999 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9244   -0.9518   -0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1324   -1.9293    0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2173   -0.5445    1.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4748    1.7156    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    1.9831    0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385   -0.7878   -0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6277   -0.9979    0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    1.6084   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866   -0.9319    0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5628   -0.7458 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