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
    3.7669   -0.1522    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680    0.5382   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372    0.8138   -0.9289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029    0.4433   -0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9488   -0.2486    0.5760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2692    0.8313   -1.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4484    0.3124   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1474   -0.8941   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1943   -1.1445    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6485   -0.1835    1.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088    1.1307    0.8240 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0521   -0.6189    1.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8333   -0.2733    0.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3117    0.9614   -0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321    1.9435   -1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986    0.4249   -2.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397   -1.6087   -1.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8103   -2.0926    0.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4236   -0.1830    1.7423 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