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
   -3.3661    1.0664   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2831    0.0753    0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5913   -1.1888    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017    0.5563   -0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194    1.7688   -0.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1848   -0.3020    0.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5182    0.2036    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374   -0.8629    0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020   -0.3920    0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5116   -1.2715   -1.2038 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8559    1.3514    0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1660    0.7188   -0.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9716    2.0115   -0.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8339   -1.9587    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6362   -1.4583    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262    0.6487   -0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663    1.0136    0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205   -1.7492    0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1785    0.7028    0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -0.9338    0.9480 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