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
    4.0035    1.0907    0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354    1.3583   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7657    0.5479    0.4951 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0704   -0.4277   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3048   -0.6131   -1.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0607   -1.2095    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2768   -0.6803    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2470   -1.0999   -0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3556   -0.3465   -0.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827    0.8134   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708    0.8597    0.7967 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445    0.2275    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    1.7406   -0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.2386   -0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640   -2.2719    0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1958   -1.0481    1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258   -2.0889   -1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992   -0.6803   -1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2039    1.5895   -0.0582 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