Monomers

2-Thiopheneacetic acid vinyl ester

Identifiers

IUPAC name
ethenyl 2-thiophen-2-ylacetate
InchI
InChI=1S/C8H8O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h2-5H,1,6H2
InchI Key
IFMUNEPYWVGZCU-UHFFFAOYSA-N
SMILES
C=COC(=O)Cc1cccs1
Canonical SMILES
C=COC(=O)CC1=CC=CS1
Isomeric SMILES
C=COC(=O)CC1=CC=CS1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H8O2S
Heavy Atom Count
11
Molecular Weight
168.217
Exact Molecular Weight
168.0245
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.9773
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -4.5037   -0.4545   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2529   -0.7861    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2507    0.0941   -0.2612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9056   -0.1626   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6166   -1.2214    0.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875    0.8138   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4526    0.4310   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    0.7332    0.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811    0.2769    0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9985   -0.4684   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5729   -0.5274   -1.2145 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7806    0.4479   -0.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2796   -1.1253    0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -1.6900    0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899    1.8369   -0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0454    0.9189   -1.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7348    1.3630    1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1752    0.4733    1.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9616   -0.9533   -0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  6 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers