6-bromo-2-methylsulfanylindol-3-one

C9H6BrNOS — CID 618037

IUPAC6-bromo-2-methylsulfanylindol-3-one
SMILESCSC1=Nc2cc(Br)ccc2C1=O
InChIInChI=1S/C9H6BrNOS/c1-13-9-8(12)6-3-2-5(10)4-7(6)11-9/h2-4H,1H3
InChIKeyFGSMWRIKDCAOHH-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.04
Rot. Bonds

About 6-bromo-2-methylsulfanylindol-3-one

6-bromo-2-methylsulfanylindol-3-one (PubChem CID 618037) has the molecular formula C9H6BrNOS and a molecular weight of 256.12 g/mol. Its IUPAC name is 6-bromo-2-methylsulfanylindol-3-one.

Molecular Properties

Compound Name6-bromo-2-methylsulfanylindol-3-one
PubChem CID618037
Molecular FormulaC9H6BrNOS
Molecular Weight256.12 g/mol
Exact Mass254.94
IUPAC Name6-bromo-2-methylsulfanylindol-3-one
SMILESCSC1=Nc2cc(Br)ccc2C1=O
InChIInChI=1S/C9H6BrNOS/c1-13-9-8(12)6-3-2-5(10)4-7(6)11-9/h2-4H,1H3
InChIKeyFGSMWRIKDCAOHH-UHFFFAOYSA-N
XLogP3.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-methylsulfanylindol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylsulfanylindol-3-one?
The IUPAC name of 6-bromo-2-methylsulfanylindol-3-one (CID 618037) is 6-bromo-2-methylsulfanylindol-3-one.
What is the SMILES notation for 6-bromo-2-methylsulfanylindol-3-one?
The canonical SMILES for 6-bromo-2-methylsulfanylindol-3-one is CSC1=Nc2cc(Br)ccc2C1=O.
What is the InChIKey of 6-bromo-2-methylsulfanylindol-3-one?
The InChIKey is FGSMWRIKDCAOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOS/c1-13-9-8(12)6-3-2-5(10)4-7(6)11-9/h2-4H,1H3.
What are the key properties of 6-bromo-2-methylsulfanylindol-3-one?
6-bromo-2-methylsulfanylindol-3-one has a molecular weight of 256.12 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylsulfanylindol-3-one is sourced from PubChem (CID 618037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).