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
   -2.8325   -0.1908   -1.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203    0.1639   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726    1.0168    0.8276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6113   -0.4457   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2423   -1.2782   -0.9245 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3174   -0.1833    0.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5907   -0.8076    0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929   -0.5000   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    0.9343   -0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1050    0.0062    0.0536 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3942    0.6977   -1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2726   -0.5840   -2.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5838   -0.9414   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    1.4910    0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5884    1.2562    1.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220   -0.5058    1.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4994   -1.9252    1.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2052   -1.1215   -1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102    1.2464   -1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940    1.6710    0.0760 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