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
    4.1956    0.6962   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554    1.1672   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    0.4995    0.5824 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0504   -0.3760   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1630   -0.6037   -1.2428 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0187   -1.0437    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3536   -0.5424    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430   -0.8243   -0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107   -0.1700   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6593    0.7953    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1457    0.7565    1.3085 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9578    1.2605   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856   -0.2630    0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7795    2.1410   -0.5328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.8477    1.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144   -2.1419    0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045   -1.6298   -1.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1985   -0.3635   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5169    1.4897    0.4751 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