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
    2.8278    1.2373   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8817    0.1483    0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731   -0.6822    1.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6216   -0.0355   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3548    0.7717   -1.3759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786   -1.0238   -0.1727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4950   -1.2421   -0.8305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -0.0295   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457    0.3570    0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1002   -0.3460   -0.2833 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7073    0.8698   -0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    1.6443    0.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654    2.0280   -0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848   -1.4737    1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975   -0.5586    1.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -1.4962   -1.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770   -2.1256   -0.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465    0.7634   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7827    1.4447    0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4154   -0.2515    1.5558 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