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
   -2.8708    0.7005   -1.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9108    0.2102   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2559    0.3024    1.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6148   -0.3612   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2754   -0.4543   -1.6016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2570   -0.8076    0.5483 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -1.3668    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247   -0.4794   -0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8223    0.8218    0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1691    0.9126   -1.2493 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9184    0.5587   -0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7592    1.8078   -1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    0.1697   -2.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672   -0.0499    1.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2048    0.7214    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.5773    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022   -2.3294   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -1.0544   -0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8679    1.1118    0.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1113    1.1635    1.2100 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