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
   -2.9221   -1.3579    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1466   -0.1044   -0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183    1.0671   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -0.2080   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550   -1.3099   -0.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012    0.9012   -0.4170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4741    0.7583   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    0.1824    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   -0.0034    0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1018    1.4282    1.6451 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5395   -2.1393   -0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7622   -1.7607    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9811   -1.1297   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227    1.9388   -0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8039    1.1054   -0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9309    1.7177   -0.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924    0.0439   -1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5964   -0.5113    1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1198    0.2643   -0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0719   -0.8825    1.1967 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