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

C10H9NO2S — CID 21481233

IUPAC6-ethylsulfanyl-1H-indole-2,3-dione
SMILESCCSc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C10H9NO2S/c1-2-14-6-3-4-7-8(5-6)11-10(13)9(7)12/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeyFGVIVDHQEMLTBB-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.93
Rot. Bonds2

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

6-ethylsulfanyl-1H-indole-2,3-dione (PubChem CID 21481233) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-ethylsulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-ethylsulfanyl-1H-indole-2,3-dione
PubChem CID21481233
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name6-ethylsulfanyl-1H-indole-2,3-dione
SMILESCCSc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C10H9NO2S/c1-2-14-6-3-4-7-8(5-6)11-10(13)9(7)12/h3-5H,2H2,1H3,(H,11,12,13)
InChIKeyFGVIVDHQEMLTBB-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.93
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-1H-indole-2,3-dione?
The IUPAC name of 6-ethylsulfanyl-1H-indole-2,3-dione (CID 21481233) is 6-ethylsulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 6-ethylsulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 6-ethylsulfanyl-1H-indole-2,3-dione is CCSc1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-ethylsulfanyl-1H-indole-2,3-dione?
The InChIKey is FGVIVDHQEMLTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-2-14-6-3-4-7-8(5-6)11-10(13)9(7)12/h3-5H,2H2,1H3,(H,11,12,13).
What are the key properties of 6-ethylsulfanyl-1H-indole-2,3-dione?
6-ethylsulfanyl-1H-indole-2,3-dione has a molecular weight of 207.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 21481233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).