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
   -3.4812    0.4734   -0.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2362   -0.2523   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2984   -1.4814    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9658    0.4381   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    1.6223   -0.6533 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2424   -0.1943    0.0589 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685    0.4953   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5883   -0.4542    0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9718    0.1557    0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686   -0.3303    1.7729 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6860    1.1884    0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3807    1.0908   -1.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3637   -0.2017   -0.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2567   -1.9638    0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -2.0722    0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351    1.4104    0.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    0.6981   -1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329   -1.4764   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632   -0.4127   -0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0426    1.2666   -0.0185 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