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
   -2.1874   -1.3085    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1626    0.1386    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854    0.8121   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.8139   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    2.0637   -0.5359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    0.1600   -0.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5008    0.8641   -0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    0.0040   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987   -0.7171    0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640   -1.7968   -0.5979 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346   -1.5347    1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1815   -1.7486    0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5646   -1.8533   -0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2099    0.3008    0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2513    1.8810   -0.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3868    1.3069   -1.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6209    1.6783    0.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728    0.4017   -1.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   -0.7472    1.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797   -0.7188    1.0492 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