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
    3.9332    1.0269    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0406    0.2258   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597   -0.1822    0.4104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170   -0.9293   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9595   -1.2500   -1.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2279   -1.3597    0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244   -0.5473    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998    0.1772   -0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9850    0.8159   -0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7745    0.7208    0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7248   -0.3835    1.5249 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8337    1.3856    1.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193    1.3991   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1766   -0.0978   -1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515   -1.3466    1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -2.4240    0.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1129    0.2438   -1.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3426    1.4458   -1.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7142    1.0795    0.7716 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