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
   -3.0707    1.1711   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890   -0.0084   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6815   -1.2040   -0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7952    0.1652    0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2821    1.3014    0.3494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054   -0.8838    0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4397   -0.7564    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2492    0.0909   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    0.1862   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607   -0.7568   -1.4973 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0933    0.8523   -0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484    1.6387   -1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6882    1.9086    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0386   -2.0877   -0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7310   -1.3433   -0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378   -0.3718    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008   -1.7799    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8164    1.0431   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2040    1.2013   -0.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0760   -0.3667    0.8659 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