5-thiophen-2-ylthiophen-3-one

C8H6OS2 — CID 14634494

IUPAC5-thiophen-2-ylthiophen-3-one
SMILESO=C1C=C(c2cccs2)SC1
InChIInChI=1S/C8H6OS2/c9-6-4-8(11-5-6)7-2-1-3-10-7/h1-4H,5H2
InChIKeyRHWVHPTZUPWADH-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.40
Rot. Bonds1

About 5-thiophen-2-ylthiophen-3-one

5-thiophen-2-ylthiophen-3-one (PubChem CID 14634494) has the molecular formula C8H6OS2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-thiophen-2-ylthiophen-3-one.

Molecular Properties

Compound Name5-thiophen-2-ylthiophen-3-one
PubChem CID14634494
Molecular FormulaC8H6OS2
Molecular Weight182.27 g/mol
Exact Mass181.99
IUPAC Name5-thiophen-2-ylthiophen-3-one
SMILESO=C1C=C(c2cccs2)SC1
InChIInChI=1S/C8H6OS2/c9-6-4-8(11-5-6)7-2-1-3-10-7/h1-4H,5H2
InChIKeyRHWVHPTZUPWADH-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylthiophen-3-one?
The IUPAC name of 5-thiophen-2-ylthiophen-3-one (CID 14634494) is 5-thiophen-2-ylthiophen-3-one.
What is the SMILES notation for 5-thiophen-2-ylthiophen-3-one?
The canonical SMILES for 5-thiophen-2-ylthiophen-3-one is O=C1C=C(c2cccs2)SC1.
What is the InChIKey of 5-thiophen-2-ylthiophen-3-one?
The InChIKey is RHWVHPTZUPWADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS2/c9-6-4-8(11-5-6)7-2-1-3-10-7/h1-4H,5H2.
What are the key properties of 5-thiophen-2-ylthiophen-3-one?
5-thiophen-2-ylthiophen-3-one has a molecular weight of 182.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylthiophen-3-one is sourced from PubChem (CID 14634494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).