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
    2.6300   -0.9238   -0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2983    0.2184    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2099    0.8953    1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8741    0.5894    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156    1.5582    1.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -0.1095   -0.1135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4610    0.3069    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855   -0.5683   -0.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8548   -0.2532   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1152    0.0968   -2.2419 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511   -1.6366    0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614   -0.6640   -1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7301   -1.4571   -0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508    0.6268    0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    1.7380    1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208    1.3538   -0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7440    0.3863    1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036   -1.6447   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1347    0.5884    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5600   -1.1011   -0.5795 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