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
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
4.1483 0.4989 0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9214 0.9297 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 0.1771 0.6405 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0635 -0.5271 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4348 -0.4571 -1.4943 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1305 -1.3565 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3324 -0.5271 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6457 -0.7611 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5240 0.2340 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0772 1.4388 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3074 1.1459 -0.6883 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3137 -0.4658 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0063 1.0985 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7955 1.9012 -0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1658 -1.8326 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1713 -2.1962 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9582 -1.7894 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6226 0.1100 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5562 2.3789 -0.7895 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