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
    4.4665    0.3563    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1851    0.5595    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2615   -0.2662   -0.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8896   -0.0502   -0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628    0.9339    0.6209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099   -0.9336   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594   -0.3962   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -0.6723    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4441   -0.0564    0.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7664    0.8769   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152    0.7962   -1.2928 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1737    1.0043    0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8149   -0.4868   -0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8190    1.3796    0.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0303   -0.8945   -1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0077   -1.9826   -0.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9381   -1.4384    1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1611   -0.2616    1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6746    1.5320   -0.3625 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