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
    2.4988    1.8087   -0.8872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140    0.9006    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4538    0.8166    1.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523    0.1024   -0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398    0.1967   -1.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390   -0.7717    0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -1.5555    0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243   -0.6425    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4769   -1.1841   -0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4023   -0.4912    1.3218 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    2.8571   -0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118    1.8371   -0.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2923    1.4744   -1.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    1.4019    1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0646    0.1635    2.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7709   -2.2712   -0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1953   -2.1910    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8255    0.3578   -0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0185   -0.5462   -1.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6216   -2.2633   -0.4890 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