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
   -2.1699   -1.0133    1.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840   -0.0303   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8293    0.7867   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5529   -0.0013   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309    0.8323   -1.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -0.8707   -0.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936   -0.8347   -0.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3050    0.5242   -0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4528    0.8451    0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9178    0.7396    0.0219 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -1.9532    0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2527   -1.2645    1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8830   -0.5902    2.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7972    0.7459    0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485    1.4976   -1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -1.5876   -0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -1.0395   -1.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651    1.3266   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    1.8470    1.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    0.0402    1.6676 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