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
   -2.9235    0.5685   -1.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1018    0.0482   -0.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832   -0.1779    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812   -0.2167   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476    0.0039   -1.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0683   -0.6976    0.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4609   -0.9792    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646    0.3128    0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735    0.2962    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030    1.0304    1.6815 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -0.2541   -1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6797    1.2665   -0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2823    1.1013   -2.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279    0.0016    1.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177   -0.5577    1.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658   -1.7694   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -1.2955    1.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535    1.0288   -0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.9944   -0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525   -0.7044    0.1481 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