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
   -4.3972   -0.3806   -0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1001   -0.3119   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2620   -0.2184    0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862   -0.1450    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4701   -0.1682   -1.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386   -0.0430    1.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.0160    0.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922    1.0405    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4297    0.8089   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8564   -0.4779   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822   -1.4205    0.4022 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0970   -0.4549   -1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7730   -0.3620    0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903   -0.3287   -1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2045    0.8279    1.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997   -0.9884    1.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7888    2.0932    0.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1234    1.6390   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7551   -0.9780   -0.5650 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