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
   -3.2334    0.6362    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9439    0.0181   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8916   -0.9874   -0.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7272    0.5527    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953    1.5151    1.2580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4775    0.0020    0.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340    0.4232    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519   -0.5083   -0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930   -0.4026   -1.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2080    0.0164   -0.7874 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047    1.3770   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1981    1.0694    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0561   -0.1277    0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926   -1.4780   -1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8338   -1.3749   -1.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    1.4425    0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8272    0.2992    1.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6296   -1.5489    0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6047   -1.3583   -2.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437    0.4342   -2.0723 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