5-fluoro-6-methylsulfanyl-1-benzofuran

C9H7FOS — CID 91225331

IUPAC5-fluoro-6-methylsulfanyl-1-benzofuran
SMILESCSc1cc2occc2cc1F
InChIInChI=1S/C9H7FOS/c1-12-9-5-8-6(2-3-11-8)4-7(9)10/h2-5H,1H3
InChIKeySEMKWQXCAUZIDA-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.29
Rot. Bonds1

About 5-fluoro-6-methylsulfanyl-1-benzofuran

5-fluoro-6-methylsulfanyl-1-benzofuran (PubChem CID 91225331) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-fluoro-6-methylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-6-methylsulfanyl-1-benzofuran
PubChem CID91225331
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name5-fluoro-6-methylsulfanyl-1-benzofuran
SMILESCSc1cc2occc2cc1F
InChIInChI=1S/C9H7FOS/c1-12-9-5-8-6(2-3-11-8)4-7(9)10/h2-5H,1H3
InChIKeySEMKWQXCAUZIDA-UHFFFAOYSA-N
XLogP3.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylsulfanyl-1-benzofuran?
The IUPAC name of 5-fluoro-6-methylsulfanyl-1-benzofuran (CID 91225331) is 5-fluoro-6-methylsulfanyl-1-benzofuran.
What is the SMILES notation for 5-fluoro-6-methylsulfanyl-1-benzofuran?
The canonical SMILES for 5-fluoro-6-methylsulfanyl-1-benzofuran is CSc1cc2occc2cc1F.
What is the InChIKey of 5-fluoro-6-methylsulfanyl-1-benzofuran?
The InChIKey is SEMKWQXCAUZIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c1-12-9-5-8-6(2-3-11-8)4-7(9)10/h2-5H,1H3.
What are the key properties of 5-fluoro-6-methylsulfanyl-1-benzofuran?
5-fluoro-6-methylsulfanyl-1-benzofuran has a molecular weight of 182.22 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylsulfanyl-1-benzofuran is sourced from PubChem (CID 91225331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).