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
   -2.1331    1.2657   -0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1822   -0.0643   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3240   -0.6008    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336   -0.7651    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9382   -1.9197    0.5677 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3012   -0.2591   -0.3121 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767   -0.9918   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   -0.2834   -0.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605    1.0583    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0407   -0.2462    0.7641 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262    1.9486   -0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361    1.7369   -0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2248    1.0831   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414   -0.0672   -0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4024   -1.5762    0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695   -1.9903   -0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926   -1.1805    1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351   -0.4961   -1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    1.5767    0.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800    1.7715   -0.5859 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