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
    4.5010    0.5448   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2248    0.8110    0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2893   -0.1181   -0.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316    0.0302   -0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736    1.0801    0.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0331   -1.0034   -0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -0.6432   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3424    0.0175   -1.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750    0.2167   -0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8926   -0.2642    0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3269   -1.0202    1.0894 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2970    1.2266    0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7983   -0.3722   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9533    1.7529    0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1558   -1.9909   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603   -1.1621   -1.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933    0.3708   -2.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3627    0.7510   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8382   -0.2273    1.1885 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