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
    4.4311    0.6894   -0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    0.9407   -0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839   -0.1180   -0.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    0.0333    0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    1.2007   -0.0785 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -1.1380    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3896   -0.6557    0.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3115   -0.5407   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5228   -0.0898   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8033    0.2504    0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2642   -0.1059    1.7842 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1334    1.4897   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8416   -0.2952   -0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626    1.9383   -0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323   -1.6177    1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0692   -1.8299   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993   -0.8380   -1.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3449    0.0426   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7353    0.6435    1.4335 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