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
   -2.7454    0.8647   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2834   -0.4594    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1471   -1.3812    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8717   -0.7292    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4868   -1.8754    0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021    0.2195   -0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490   -0.1848    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4091    0.9193   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8858    0.5202   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238    1.5967    1.0608 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7154    0.7979   -0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    1.3426   -0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531    1.4590    0.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8818   -2.3797    0.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2181   -1.1867    0.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6031   -0.5500    1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -1.0283   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215    1.6292   -1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051    0.9698   -0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1156   -0.5443   -0.0119 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