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
   -3.4023   -0.4344   -0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    0.1770    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0178    1.3982    0.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8671   -0.6126    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712   -1.7877   -0.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036   -0.1271    0.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5706   -0.9384    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198   -0.1978    0.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899    1.0696   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695   -0.3979   -0.7350 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608   -1.4632   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9657    0.1426   -0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0297   -0.5365    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0712    1.8404    0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9134    1.9709    0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4763   -1.8073    0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5763   -1.3579   -0.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750   -0.2303    1.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4748    1.4871   -0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8214    1.8052    0.3324 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