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
   -2.4050    0.8384    0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8705   -0.0620   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6062   -0.3206   -1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454   -0.6398   -0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1006   -1.3933   -0.9222 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1881   -0.3594    1.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4854   -0.8840    1.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572   -0.4585    0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996    1.0784    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0321    0.1701    0.5701 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7696    0.2265    1.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1929    1.4646    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5662    1.4990    1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5748    0.1403   -1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2293   -0.9699   -2.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317   -0.5310    2.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054   -1.9777    1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2829   -1.0069   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632    1.4942   -0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    1.6916    0.8912 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