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
   -3.6042    1.0324   -0.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4896   -0.0713   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3680   -0.6708    0.3515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -0.2924    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7905    0.7655   -0.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0455   -1.0621    0.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563   -0.3745    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1669   -0.5965   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3070    0.1105   -0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6178    0.9867    0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991    0.8032    1.5336 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5891    1.3724   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292    1.6138   -1.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283   -0.6227    0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449   -2.0709    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060   -1.2214    1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8697   -1.3371   -1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0273   -0.0068   -1.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4415    1.6420    0.6073 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