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
    3.4057    1.0028    0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726    0.0868   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4495   -1.1445   -0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102    0.5676    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6893    1.7341    0.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789   -0.2341   -0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5009    0.2238    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -0.8445   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9553   -0.4031   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4227   -1.7336    0.9545 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    1.1655    1.3169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2773    1.9930   -0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    0.5425   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340   -1.8156   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4504   -1.5095   -0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6743    1.0598   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6811    0.5669    1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2781   -1.3469   -1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1383    0.5831    0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5980   -0.4941   -0.9233 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