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
   -3.3326   -0.4762   -0.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366   -0.1876    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931   -0.1022    1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334   -0.0026   -0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177   -0.0724   -1.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3678    0.2660   -0.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5783    0.4578   -0.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7190    0.7335    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868   -0.2785    1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1853   -0.3028   -0.1768 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1718   -1.1406   -1.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    0.4730   -0.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480   -0.9772    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8459   -0.2300    2.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    0.1080    1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    1.3480   -1.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7343   -0.4214   -1.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960    1.8012    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5119    0.0762    2.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3129   -1.0723    1.3672 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