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
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
4.0954 0.9315 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4032 -0.1651 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 -0.4820 -0.4004 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0074 -0.0696 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8937 0.6166 0.9855 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1206 -0.4415 -0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4127 0.0455 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3588 -0.4990 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4797 0.1709 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6615 1.3833 0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1358 1.6558 -0.9778 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8013 1.5980 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9495 1.1866 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7112 -0.8260 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1682 -1.5411 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0811 -0.0601 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1278 -1.5105 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2752 -0.2392 1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 2.1282 0.0665 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