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
   -2.9685   -0.6137   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900    0.3438    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666    1.1062    1.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    0.4781    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646    1.2982    0.7106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -0.2725   -0.8768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906   -0.1404   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1959   -0.4402   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879   -0.3385   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0442    0.9971    0.6892 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0124   -0.3531   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -1.6701   -0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0029   -0.6064    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6101    1.0087    1.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620    1.8265    1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5429    0.8408   -1.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454   -0.8881   -1.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514   -1.2247    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161   -0.2672   -1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3287   -1.0846    0.3332 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