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
   -2.5822    1.1919    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340   -0.2541    0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3205   -1.1173   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9527   -0.7132    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157   -1.9346   -0.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1220    0.1547    0.2099 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215   -0.3412    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708    0.7295    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    0.1880    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921    0.9618    1.8007 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885    1.5976    1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6808    1.3192    0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4055    1.7295   -0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3520   -0.7641   -0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1043   -2.1664   -0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6007   -0.9011   -0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5361   -1.0649    1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965    1.6090   -0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6075    0.6906   -0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0431   -0.9150    0.3385 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