1-thiophen-2-ylethyl acetate

C8H10O2S — CID 3023725

IUPAC1-thiophen-2-ylethyl acetate
SMILESCC(=O)OC(C)c1cccs1
InChIInChI=1S/C8H10O2S/c1-6(10-7(2)9)8-4-3-5-11-8/h3-6H,1-2H3
InChIKeyUMPWVJJKMHJYAA-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.37
Rot. Bonds2

About 1-thiophen-2-ylethyl acetate

1-thiophen-2-ylethyl acetate (PubChem CID 3023725) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-thiophen-2-ylethyl acetate.

Molecular Properties

Compound Name1-thiophen-2-ylethyl acetate
PubChem CID3023725
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name1-thiophen-2-ylethyl acetate
SMILESCC(=O)OC(C)c1cccs1
InChIInChI=1S/C8H10O2S/c1-6(10-7(2)9)8-4-3-5-11-8/h3-6H,1-2H3
InChIKeyUMPWVJJKMHJYAA-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylethyl acetate?
The IUPAC name of 1-thiophen-2-ylethyl acetate (CID 3023725) is 1-thiophen-2-ylethyl acetate.
What is the SMILES notation for 1-thiophen-2-ylethyl acetate?
The canonical SMILES for 1-thiophen-2-ylethyl acetate is CC(=O)OC(C)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylethyl acetate?
The InChIKey is UMPWVJJKMHJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-6(10-7(2)9)8-4-3-5-11-8/h3-6H,1-2H3.
What are the key properties of 1-thiophen-2-ylethyl acetate?
1-thiophen-2-ylethyl acetate has a molecular weight of 170.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylethyl acetate is sourced from PubChem (CID 3023725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).