5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran

C18H16O3S2 — CID 157361878

IUPAC5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran
SMILESCc1ccco1.OC1C=CC(=C(c2ccsc2)c2ccsc2)O1
InChIInChI=1S/C13H10O2S2.C5H6O/c14-12-2-1-11(15-12)13(9-3-5-16-7-9)10-4-6-17-8-10;1-5-3-2-4-6-5/h1-8,12,14H;2-4H,1H3
InChIKeyBISUBORZHMBNIB-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.06
Rot. Bonds2

About 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran

5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran (PubChem CID 157361878) has the molecular formula C18H16O3S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran.

Molecular Properties

Compound Name5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran
PubChem CID157361878
Molecular FormulaC18H16O3S2
Molecular Weight344.46 g/mol
Exact Mass344.05
IUPAC Name5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran
SMILESCc1ccco1.OC1C=CC(=C(c2ccsc2)c2ccsc2)O1
InChIInChI=1S/C13H10O2S2.C5H6O/c14-12-2-1-11(15-12)13(9-3-5-16-7-9)10-4-6-17-8-10;1-5-3-2-4-6-5/h1-8,12,14H;2-4H,1H3
InChIKeyBISUBORZHMBNIB-UHFFFAOYSA-N
XLogP5.06
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran?
The IUPAC name of 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran (CID 157361878) is 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran.
What is the SMILES notation for 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran?
The canonical SMILES for 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran is Cc1ccco1.OC1C=CC(=C(c2ccsc2)c2ccsc2)O1.
What is the InChIKey of 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran?
The InChIKey is BISUBORZHMBNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S2.C5H6O/c14-12-2-1-11(15-12)13(9-3-5-16-7-9)10-4-6-17-8-10;1-5-3-2-4-6-5/h1-8,12,14H;2-4H,1H3.
What are the key properties of 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran?
5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran has a molecular weight of 344.46 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(thiophen-3-yl)methylidene]-2H-furan-2-ol;2-methylfuran is sourced from PubChem (CID 157361878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).