4-bromo-3-methylsulfanyl-1H-indole

C9H8BrNS — CID 152778535

IUPAC4-bromo-3-methylsulfanyl-1H-indole
SMILESCSc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrNS/c1-12-8-5-11-7-4-2-3-6(10)9(7)8/h2-5,11H,1H3
InChIKeyWUBOXWGIZLEOCJ-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.65
Rot. Bonds1

About 4-bromo-3-methylsulfanyl-1H-indole

4-bromo-3-methylsulfanyl-1H-indole (PubChem CID 152778535) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is 4-bromo-3-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name4-bromo-3-methylsulfanyl-1H-indole
PubChem CID152778535
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name4-bromo-3-methylsulfanyl-1H-indole
SMILESCSc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrNS/c1-12-8-5-11-7-4-2-3-6(10)9(7)8/h2-5,11H,1H3
InChIKeyWUBOXWGIZLEOCJ-UHFFFAOYSA-N
XLogP3.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylsulfanyl-1H-indole?
The IUPAC name of 4-bromo-3-methylsulfanyl-1H-indole (CID 152778535) is 4-bromo-3-methylsulfanyl-1H-indole.
What is the SMILES notation for 4-bromo-3-methylsulfanyl-1H-indole?
The canonical SMILES for 4-bromo-3-methylsulfanyl-1H-indole is CSc1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-methylsulfanyl-1H-indole?
The InChIKey is WUBOXWGIZLEOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c1-12-8-5-11-7-4-2-3-6(10)9(7)8/h2-5,11H,1H3.
What are the key properties of 4-bromo-3-methylsulfanyl-1H-indole?
4-bromo-3-methylsulfanyl-1H-indole has a molecular weight of 242.14 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methylsulfanyl-1H-indole is sourced from PubChem (CID 152778535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).