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
   -2.5608    0.2558   -1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3012    0.4252    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156    0.7085    0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635    0.2846    0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8112    0.4407    1.8525 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1490   -0.0080   -0.1282 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433   -0.1509    0.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4463   -0.4760   -0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9053   -0.6385   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248    0.6482   -1.3191 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4200    0.8615   -1.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    0.3919   -1.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8730   -0.8125   -1.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720    0.8428    1.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3326    0.8256    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437   -0.9968    1.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342    0.7247    0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1015   -1.2988   -1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0636   -0.4097    0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920   -1.6184   -0.4768 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