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
   -3.7349    0.3072   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643   -0.4178    0.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2274   -0.7030    0.8635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0072   -0.3098    0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9363    0.4059   -0.5939 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -0.6908    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -0.1204    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2175   -0.5417   -0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    0.1910   -1.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4423    1.4245   -0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1335    1.5228    0.7816 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7951    0.4387   -1.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0392    0.8035   -1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3206   -0.8535    0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4166   -1.7821    1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429   -0.2147    2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946   -1.5617   -1.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235   -0.1322   -1.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2005    2.2342   -0.6826 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