4,6-dibromo-2-methylsulfanyl-1H-indole

C9H7Br2NS — CID 14503992

IUPAC4,6-dibromo-2-methylsulfanyl-1H-indole
SMILESCSc1cc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C9H7Br2NS/c1-13-9-4-6-7(11)2-5(10)3-8(6)12-9/h2-4,12H,1H3
InChIKeyGPRWPTHGPJRQFH-UHFFFAOYSA-N
MW321.04 g/mol
LogP4.41
Rot. Bonds1

About 4,6-dibromo-2-methylsulfanyl-1H-indole

4,6-dibromo-2-methylsulfanyl-1H-indole (PubChem CID 14503992) has the molecular formula C9H7Br2NS and a molecular weight of 321.04 g/mol. Its IUPAC name is 4,6-dibromo-2-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name4,6-dibromo-2-methylsulfanyl-1H-indole
PubChem CID14503992
Molecular FormulaC9H7Br2NS
Molecular Weight321.04 g/mol
Exact Mass318.87
IUPAC Name4,6-dibromo-2-methylsulfanyl-1H-indole
SMILESCSc1cc2c(Br)cc(Br)cc2[nH]1
InChIInChI=1S/C9H7Br2NS/c1-13-9-4-6-7(11)2-5(10)3-8(6)12-9/h2-4,12H,1H3
InChIKeyGPRWPTHGPJRQFH-UHFFFAOYSA-N
XLogP4.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.04
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-methylsulfanyl-1H-indole?
The IUPAC name of 4,6-dibromo-2-methylsulfanyl-1H-indole (CID 14503992) is 4,6-dibromo-2-methylsulfanyl-1H-indole.
What is the SMILES notation for 4,6-dibromo-2-methylsulfanyl-1H-indole?
The canonical SMILES for 4,6-dibromo-2-methylsulfanyl-1H-indole is CSc1cc2c(Br)cc(Br)cc2[nH]1.
What is the InChIKey of 4,6-dibromo-2-methylsulfanyl-1H-indole?
The InChIKey is GPRWPTHGPJRQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2NS/c1-13-9-4-6-7(11)2-5(10)3-8(6)12-9/h2-4,12H,1H3.
What are the key properties of 4,6-dibromo-2-methylsulfanyl-1H-indole?
4,6-dibromo-2-methylsulfanyl-1H-indole has a molecular weight of 321.04 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-methylsulfanyl-1H-indole is sourced from PubChem (CID 14503992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).