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
   -3.3243    0.2653    0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089   -0.2930    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -1.5817   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8786    0.6039   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0100    1.8387    0.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587    0.1059   -0.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    1.0097   -0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971    0.3206   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2012   -0.7005   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7819   -1.2960   -1.6947 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1354    0.9013    1.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7138    0.8799   -0.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0236   -0.5652    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -1.9970   -0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6567   -2.2921    0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518    1.8355   -1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6319    1.4828    0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    1.0584   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2786   -0.5857    0.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -0.9907    0.7379 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