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
   -2.8410   -0.5907    0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183   -0.0656   -0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555    0.3829   -1.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700   -0.0436   -0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008    0.3902   -1.5432 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1074   -0.4926    0.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -0.5025    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1989    0.7747    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7290    0.5890    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866    1.3750    1.6418 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4604    0.1748    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5576   -1.4336    0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832   -1.0172    1.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0199    0.3709   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5082    0.7624   -2.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -1.0038    1.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -1.1898   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8405    1.5892   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1448   -0.4171    0.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2880    1.2169   -0.5851 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