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
    2.9060    0.7584    0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8432   -0.2670    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389   -1.3619    1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233   -0.0087   -0.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6591    1.0515   -1.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3246   -0.9051   -0.4957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -0.7023   -1.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656    0.4965   -1.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198    0.4658    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8578    1.7915    0.0283 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391    1.6821    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7985    0.4003    1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847    1.0522   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664   -1.5097    1.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320   -2.0894    1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1346   -0.7440   -2.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0926   -1.5973   -1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    0.6983   -1.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5398   -0.3389    1.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246    0.5306    0.4126 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