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
    4.1861    0.0003    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0812    0.2708   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364    0.6100    0.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9318   -0.2677    0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800   -1.4736    0.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    0.1383    1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.1858    0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2979   -0.7597   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2791   -0.3971   -1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3915    0.9574   -1.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0470    1.6888   -0.4285 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    0.0415    1.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1063   -0.2719   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1254    0.2106   -1.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1859    1.1210    1.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4407   -0.6056    2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1161   -1.8255    0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895   -1.1373   -1.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1448    1.5139   -2.0276 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