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
   -4.4329   -0.7121    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433   -0.9340   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2755    0.1041    0.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9057   -0.0521    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4952   -1.1926   -0.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0286    1.0540    0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305    0.6063    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2008    0.6830   -0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444    0.2176   -0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9342   -0.3223    0.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4885   -0.1488    1.4979 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8099    0.2533    0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1242   -1.5245   -0.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8114   -1.9060   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549    1.8516   -0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567    1.4065    1.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7584    1.1278   -1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1635    0.2320   -1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608   -0.7438    0.6480 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