3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one

C12H7ClO2S2 — CID 2377702

IUPAC3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)s2)=C1c1cccs1
InChIInChI=1S/C12H7ClO2S2/c13-10-4-3-8(17-10)7-6-15-12(14)11(7)9-2-1-5-16-9/h1-5H,6H2
InChIKeyRCLLWMPOHNZNAO-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.93
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one

3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one (PubChem CID 2377702) has the molecular formula C12H7ClO2S2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one
PubChem CID2377702
Molecular FormulaC12H7ClO2S2
Molecular Weight282.77 g/mol
Exact Mass281.96
IUPAC Name3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)s2)=C1c1cccs1
InChIInChI=1S/C12H7ClO2S2/c13-10-4-3-8(17-10)7-6-15-12(14)11(7)9-2-1-5-16-9/h1-5H,6H2
InChIKeyRCLLWMPOHNZNAO-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one (CID 2377702) is 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one is O=C1OCC(c2ccc(Cl)s2)=C1c1cccs1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one?
The InChIKey is RCLLWMPOHNZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO2S2/c13-10-4-3-8(17-10)7-6-15-12(14)11(7)9-2-1-5-16-9/h1-5H,6H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one?
3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one has a molecular weight of 282.77 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-4-thiophen-2-yl-2H-furan-5-one is sourced from PubChem (CID 2377702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).