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
   -3.0008    0.5306    0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0477   -0.5975    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5220   -1.8040    0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6065   -0.3948    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -1.3732    0.6345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236    0.8626    0.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680    0.9903    0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0597    0.2754   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991    0.3582   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9908   -1.1937   -0.1144 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251    1.3676   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3761    0.8430    1.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8274    0.3011   -0.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5944   -2.0368    0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471   -2.6423    0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6484    2.0843    0.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253    0.6748    1.4462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512    0.1620   -1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0355    0.4763   -1.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    1.1163    0.0265 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