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
    3.5585    0.0561    1.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989    0.1204    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021    0.1890   -0.7666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0851    0.2067   -0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8007    0.1552    0.8076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0358    0.2835   -1.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3444    0.2839   -0.6744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578   -0.7088   -0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3041   -0.4266    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6058    0.8794    0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067    1.7495   -0.1163 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7212    0.0457    2.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5401    0.0060    1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690    0.1211   -0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0516   -0.5678   -2.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041    1.2142   -1.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8736   -1.7817   -0.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0565   -1.1924    0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4435    1.3388    1.0662 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