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
   -2.5516    0.7818    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3432   -0.4638   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4036   -1.1204   -0.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799   -0.9465   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8545   -2.0046   -1.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1316   -0.2801    0.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4201   -0.7738   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5112    0.0823    0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9421   -0.2863    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4055    1.0820   -0.9010 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8296    1.6064   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766    1.0356    1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3925    0.6023    1.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3867   -0.7419   -0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3130   -2.0472   -1.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412   -1.7917    0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -0.8965   -1.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    0.6527    1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6963   -0.0142    0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1881   -1.2717   -0.3462 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