2,4,6-tribromo-3-methylsulfinyl-1H-indole

C9H6Br3NOS — CID 11407366

IUPAC2,4,6-tribromo-3-methylsulfinyl-1H-indole
SMILESCS(=O)c1c(Br)[nH]c2cc(Br)cc(Br)c12
InChIInChI=1S/C9H6Br3NOS/c1-15(14)8-7-5(11)2-4(10)3-6(7)13-9(8)12/h2-3,13H,1H3
InChIKeySSXBWYWPNBZASD-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.19
Rot. Bonds1

About 2,4,6-tribromo-3-methylsulfinyl-1H-indole

2,4,6-tribromo-3-methylsulfinyl-1H-indole (PubChem CID 11407366) has the molecular formula C9H6Br3NOS and a molecular weight of 415.93 g/mol. Its IUPAC name is 2,4,6-tribromo-3-methylsulfinyl-1H-indole.

Molecular Properties

Compound Name2,4,6-tribromo-3-methylsulfinyl-1H-indole
PubChem CID11407366
Molecular FormulaC9H6Br3NOS
Molecular Weight415.93 g/mol
Exact Mass412.77
IUPAC Name2,4,6-tribromo-3-methylsulfinyl-1H-indole
SMILESCS(=O)c1c(Br)[nH]c2cc(Br)cc(Br)c12
InChIInChI=1S/C9H6Br3NOS/c1-15(14)8-7-5(11)2-4(10)3-6(7)13-9(8)12/h2-3,13H,1H3
InChIKeySSXBWYWPNBZASD-UHFFFAOYSA-N
XLogP4.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-methylsulfinyl-1H-indole?
The IUPAC name of 2,4,6-tribromo-3-methylsulfinyl-1H-indole (CID 11407366) is 2,4,6-tribromo-3-methylsulfinyl-1H-indole.
What is the SMILES notation for 2,4,6-tribromo-3-methylsulfinyl-1H-indole?
The canonical SMILES for 2,4,6-tribromo-3-methylsulfinyl-1H-indole is CS(=O)c1c(Br)[nH]c2cc(Br)cc(Br)c12.
What is the InChIKey of 2,4,6-tribromo-3-methylsulfinyl-1H-indole?
The InChIKey is SSXBWYWPNBZASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br3NOS/c1-15(14)8-7-5(11)2-4(10)3-6(7)13-9(8)12/h2-3,13H,1H3.
What are the key properties of 2,4,6-tribromo-3-methylsulfinyl-1H-indole?
2,4,6-tribromo-3-methylsulfinyl-1H-indole has a molecular weight of 415.93 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-methylsulfinyl-1H-indole is sourced from PubChem (CID 11407366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).