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

C13H9ClOS2 — CID 160884789

IUPAC3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan
SMILESC=C1OCC(c2ccc(Cl)s2)=C1c1cccs1
InChIInChI=1S/C13H9ClOS2/c1-8-13(11-3-2-6-16-11)9(7-15-8)10-4-5-12(14)17-10/h2-6H,1,7H2
InChIKeySQVHZLJHYSWZCU-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.92
Rot. Bonds2

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

3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan (PubChem CID 160884789) has the molecular formula C13H9ClOS2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan
PubChem CID160884789
Molecular FormulaC13H9ClOS2
Molecular Weight280.80 g/mol
Exact Mass279.98
IUPAC Name3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan
SMILESC=C1OCC(c2ccc(Cl)s2)=C1c1cccs1
InChIInChI=1S/C13H9ClOS2/c1-8-13(11-3-2-6-16-11)9(7-15-8)10-4-5-12(14)17-10/h2-6H,1,7H2
InChIKeySQVHZLJHYSWZCU-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan (CID 160884789) is 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan is C=C1OCC(c2ccc(Cl)s2)=C1c1cccs1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan?
The InChIKey is SQVHZLJHYSWZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClOS2/c1-8-13(11-3-2-6-16-11)9(7-15-8)10-4-5-12(14)17-10/h2-6H,1,7H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan?
3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan has a molecular weight of 280.80 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-2-yl-2H-furan is sourced from PubChem (CID 160884789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).