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

C9H7NO2S — CID 10465195

IUPAC6-methylsulfanyl-1H-indole-2,3-dione
SMILESCSc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C9H7NO2S/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChIKeyXCKPLMWRTAIYBU-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.54
Rot. Bonds1

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

6-methylsulfanyl-1H-indole-2,3-dione (PubChem CID 10465195) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 6-methylsulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-methylsulfanyl-1H-indole-2,3-dione
PubChem CID10465195
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name6-methylsulfanyl-1H-indole-2,3-dione
SMILESCSc1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C9H7NO2S/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChIKeyXCKPLMWRTAIYBU-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.54
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-methylsulfanyl-1H-indole-2,3-dione?
The IUPAC name of 6-methylsulfanyl-1H-indole-2,3-dione (CID 10465195) is 6-methylsulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 6-methylsulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 6-methylsulfanyl-1H-indole-2,3-dione is CSc1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-methylsulfanyl-1H-indole-2,3-dione?
The InChIKey is XCKPLMWRTAIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12).
What are the key properties of 6-methylsulfanyl-1H-indole-2,3-dione?
6-methylsulfanyl-1H-indole-2,3-dione has a molecular weight of 193.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 10465195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).