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
   -3.1883   -0.6680   -0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379    0.2594    0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    1.2604    0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    0.1139   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225   -0.8420   -0.9333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2559    0.9638    0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5756    0.7834   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706   -0.5392    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6147   -0.7104   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -0.6030    1.5529 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7452   -1.1462    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7223   -1.4673   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9222   -0.1608   -0.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4766    1.3901    1.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    1.9569    1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076    0.8445   -1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471    1.5743    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5465   -1.4693    0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1354    0.1421   -0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8737   -1.6825   -0.6921 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