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
   -3.3450   -0.2241   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0478    0.2234   -0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0124    1.3271    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8409   -0.5867   -0.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9312   -1.6364   -1.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -0.2468    0.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5680   -1.0250   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7811   -0.4316    0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2095    0.9670    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963    0.7421    1.7373 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6421    0.3518   -1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1719   -0.1600   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619   -1.2836   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8895    1.8983    0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0899    1.7157    0.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -2.0628    0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6870   -1.1109   -1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450   -1.1548    0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2941    1.1504   -0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4962    1.5467   -0.6443 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