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
    3.0953   -0.2760    0.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    0.1754   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5909    0.9529   -1.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7446   -0.2460   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3575   -0.9937    0.8247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1569    0.1387   -1.0585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5195   -0.2431   -1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470    0.2117    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7425   -0.1826    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7623   -0.9145    1.4120 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6476    0.5895    1.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8543   -0.9181    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5999   -0.8326    1.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258    1.2817   -1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6115    1.2601   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -1.3552   -1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9750    0.2184   -1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    1.2536    0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1142   -0.8011   -0.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4401    0.6808    0.3956 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