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

C10H8FNO2S — CID 22612709

IUPAC6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione
SMILESCCSc1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C10H8FNO2S/c1-2-15-8-4-7-5(3-6(8)11)9(13)10(14)12-7/h3-4H,2H2,1H3,(H,12,13,14)
InChIKeyAAZOVKDAGYNVLS-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.07
Rot. Bonds2

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

6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione (PubChem CID 22612709) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione
PubChem CID22612709
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Name6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione
SMILESCCSc1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C10H8FNO2S/c1-2-15-8-4-7-5(3-6(8)11)9(13)10(14)12-7/h3-4H,2H2,1H3,(H,12,13,14)
InChIKeyAAZOVKDAGYNVLS-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.07
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 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione (CID 22612709) is 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione is CCSc1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione?
The InChIKey is AAZOVKDAGYNVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c1-2-15-8-4-7-5(3-6(8)11)9(13)10(14)12-7/h3-4H,2H2,1H3,(H,12,13,14).
What are the key properties of 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione?
6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione has a molecular weight of 225.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 22612709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).