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
   -3.1951    1.0789   -0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9330    0.3143   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102   -0.6582   -1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541    0.5969    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7962    1.5176    1.3967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3941   -0.1272    0.3938 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814    0.0820    1.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131   -0.9167    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503   -0.7751   -0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2609   -0.5057    0.3119 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9739    2.1668    0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7823    0.7064    0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7917    1.0166   -1.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   -0.8992   -1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094   -1.2351   -1.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    1.1287    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    0.0582    2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   -1.9524    1.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549    0.1121   -1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8316   -1.7089   -1.4085 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