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
   -2.9438    0.0973   -0.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.5609   -0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926   -1.8813   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173    0.2216    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6481    1.4719    0.2411 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4940   -0.3501    0.9233 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6153    0.3790    1.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805    1.1347    0.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302    0.2117   -0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9252    1.1248   -0.1380 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8651    0.0343   -1.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0530    1.1482   -0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8828   -0.4723   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9289   -2.3867    0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159   -2.4741   -0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -0.3951    1.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152    1.0130    2.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6255    2.0519   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6029   -0.8808   -0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2514    0.5129   -1.9557 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