4-bromo-1-(2-methylsulfanylethyl)indole

C11H12BrNS — CID 116626132

IUPAC4-bromo-1-(2-methylsulfanylethyl)indole
SMILESCSCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H12BrNS/c1-14-8-7-13-6-5-9-10(12)3-2-4-11(9)13/h2-6H,7-8H2,1H3
InChIKeyFAWUAFNROFZHEJ-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.77
Rot. Bonds3

About 4-bromo-1-(2-methylsulfanylethyl)indole

4-bromo-1-(2-methylsulfanylethyl)indole (PubChem CID 116626132) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 4-bromo-1-(2-methylsulfanylethyl)indole.

Molecular Properties

Compound Name4-bromo-1-(2-methylsulfanylethyl)indole
PubChem CID116626132
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name4-bromo-1-(2-methylsulfanylethyl)indole
SMILESCSCCn1ccc2c(Br)cccc21
InChIInChI=1S/C11H12BrNS/c1-14-8-7-13-6-5-9-10(12)3-2-4-11(9)13/h2-6H,7-8H2,1H3
InChIKeyFAWUAFNROFZHEJ-UHFFFAOYSA-N
XLogP3.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methylsulfanylethyl)indole?
The IUPAC name of 4-bromo-1-(2-methylsulfanylethyl)indole (CID 116626132) is 4-bromo-1-(2-methylsulfanylethyl)indole.
What is the SMILES notation for 4-bromo-1-(2-methylsulfanylethyl)indole?
The canonical SMILES for 4-bromo-1-(2-methylsulfanylethyl)indole is CSCCn1ccc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-(2-methylsulfanylethyl)indole?
The InChIKey is FAWUAFNROFZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-14-8-7-13-6-5-9-10(12)3-2-4-11(9)13/h2-6H,7-8H2,1H3.
What are the key properties of 4-bromo-1-(2-methylsulfanylethyl)indole?
4-bromo-1-(2-methylsulfanylethyl)indole has a molecular weight of 270.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methylsulfanylethyl)indole is sourced from PubChem (CID 116626132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).