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
   -2.5991   -1.2565    0.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3164    0.1872    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3175    1.0088    0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9678    0.7467    0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7791    1.9822    0.1921 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445   -0.0385   -0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485    0.4651   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711   -0.5893   -0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188   -0.1950   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5737   -0.9038    0.8495 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7051   -1.8704   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1672   -1.5988    1.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2525   -1.4299   -0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3165    0.6183    0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1526    2.0920    0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353    1.2124   -1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052    1.0123    0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1659   -1.5396   -1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603    0.8957   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505   -0.7990   -1.4147 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