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
    2.4171    1.1007   -1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   -0.0244   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.5899    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795   -0.4949    0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050   -1.4633    1.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1363    0.0604   -0.0306 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682   -0.4154    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5285    0.3704   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9203   -0.1051    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5914   -0.4872   -1.2489 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8885    0.7468   -2.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4213    1.4444   -1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7443    1.8988   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4982   -1.4321    0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   -0.2380   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207   -1.4835    0.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3421   -0.2003    1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4275    1.4474   -0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9106   -0.8510    1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6527    0.7162    0.6310 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