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
   -2.6072    1.2797   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3308   -0.1751   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3459   -1.0013    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635   -0.6635    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545   -1.9128    0.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1413    0.1713   -0.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -0.3753   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5161    0.6585   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9426    0.0375   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144    1.1133    1.2398 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    1.6198    0.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514    1.4542   -0.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    1.8736   -0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705   -2.0571    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3578   -0.6500    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5319   -1.0057   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165   -1.0599    0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518    1.4066   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    0.3364   -0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114   -1.0504    0.1337 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