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
   -2.7734   -0.6015    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.6065   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002    1.7899    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011    0.4732   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1409    1.5282   -0.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1068   -0.7123   -0.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518   -1.1638   -0.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879   -0.9548    0.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843    0.4027    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170   -0.4609    1.8606 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7303   -0.4338   -0.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2596   -1.5306   -0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9966   -0.6386    1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9181    2.7085   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387    1.9033    0.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507   -0.6827   -1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2645   -2.2499   -1.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2659   -1.7909    0.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229    0.4670    0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    1.3405    0.1942 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