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
    2.9786   -0.4997   -0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.5519    0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864    1.5696    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814    0.5002   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304    1.4014    0.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0267   -0.5053   -0.6376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3939   -0.4952   -0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1329   -0.5069    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7087   -0.4933    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0094    0.7723    1.3232 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8859   -0.4827   -1.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0215   -0.3735   -0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218   -1.4824   -0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0986    2.3585    1.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7599    1.6431    0.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406    0.3707   -1.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.3999   -1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924   -1.3423    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2410   -1.3337    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0497   -0.2529   -0.6406 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