5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione

C9H6FNO2S — CID 22612730

IUPAC5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione
SMILESCSc1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C9H6FNO2S/c1-14-7-3-6-4(2-5(7)10)8(12)9(13)11-6/h2-3H,1H3,(H,11,12,13)
InChIKeyJVFVFEGOGAVWQT-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.68
Rot. Bonds1

About 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione

5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione (PubChem CID 22612730) has the molecular formula C9H6FNO2S and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione
PubChem CID22612730
Molecular FormulaC9H6FNO2S
Molecular Weight211.22 g/mol
Exact Mass211.01
IUPAC Name5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione
SMILESCSc1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C9H6FNO2S/c1-14-7-3-6-4(2-5(7)10)8(12)9(13)11-6/h2-3H,1H3,(H,11,12,13)
InChIKeyJVFVFEGOGAVWQT-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione (CID 22612730) is 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione is CSc1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione?
The InChIKey is JVFVFEGOGAVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO2S/c1-14-7-3-6-4(2-5(7)10)8(12)9(13)11-6/h2-3H,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione?
5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione has a molecular weight of 211.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylsulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 22612730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).