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
   -2.7259   -0.3359    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2854    0.4895   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1618    1.1626   -0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8820    0.5994   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046    1.3068   -1.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324   -0.0664    0.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907    0.0392   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772   -0.7845    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8595   -0.7876    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    0.0838    1.7952 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9804   -1.1147    1.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6749   -0.8596    0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9009    0.3414    1.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052    1.0976   -0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9076    1.7851   -1.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730   -0.2135   -1.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7942    1.0949   -0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9741   -1.8072    0.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486   -1.7239    0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465   -0.3069   -0.5839 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