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
    2.0548    0.6585   -1.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347   -0.2817    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2818   -0.5928    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -0.8824    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -1.6908    1.5012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3406   -0.5961   -0.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087   -1.2121    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7387   -0.7584   -0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9783    0.7302   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6790    0.0739   -1.7237 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087    1.2331   -1.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1861    0.1257   -2.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987    1.3842   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810   -1.2749    1.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1882   -0.1523    0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6111   -0.8725    1.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3996   -2.2933    0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202   -1.4432   -0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    1.3819    0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0035    1.0004    0.2364 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