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
   -4.1540    0.3612    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066    0.7629   -0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -0.1588   -0.9809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556   -0.2898   -0.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523    0.4265    0.9284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638   -1.2372   -0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836   -0.5516   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053   -0.2656    0.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.3716    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.7205   -1.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    0.1043   -1.8226 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9243    1.0644    0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2451   -0.6559    0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0089    1.8070   -0.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0758   -1.8448   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0782   -1.8947    0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691   -0.5821    1.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2223    0.6401    1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212    1.2221   -1.5335 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