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
    4.0864    0.0315   -0.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261   -0.1088   -1.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115   -0.8788   -0.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8780   -0.3786   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8380    0.8350   -0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2866   -1.2221   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3808   -0.3983    0.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4110    0.2991   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2665    0.9563    0.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1350    0.9444    2.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6720   -0.0897    2.3143 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9651    0.6176   -0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0103   -0.4594    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658    0.3624   -2.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0117   -2.0207    0.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6765   -1.6849   -0.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4267    0.2444   -1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1190    1.5410    0.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7188    1.4098    2.8942 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