4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole

C10H9Br2NO2S2 — CID 11440935

IUPAC4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole
SMILESCS(=O)c1[nH]c2cc(Br)cc(Br)c2c1S(C)=O
InChIInChI=1S/C10H9Br2NO2S2/c1-16(14)9-8-6(12)3-5(11)4-7(8)13-10(9)17(2)15/h3-4,13H,1-2H3
InChIKeyAWVBMHXHQPJBDF-UHFFFAOYSA-N
MW399.13 g/mol
LogP3.17
Rot. Bonds2

About 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole

4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole (PubChem CID 11440935) has the molecular formula C10H9Br2NO2S2 and a molecular weight of 399.13 g/mol. Its IUPAC name is 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole.

Molecular Properties

Compound Name4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole
PubChem CID11440935
Molecular FormulaC10H9Br2NO2S2
Molecular Weight399.13 g/mol
Exact Mass396.84
IUPAC Name4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole
SMILESCS(=O)c1[nH]c2cc(Br)cc(Br)c2c1S(C)=O
InChIInChI=1S/C10H9Br2NO2S2/c1-16(14)9-8-6(12)3-5(11)4-7(8)13-10(9)17(2)15/h3-4,13H,1-2H3
InChIKeyAWVBMHXHQPJBDF-UHFFFAOYSA-N
XLogP3.17
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole 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 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole?
The IUPAC name of 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole (CID 11440935) is 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole.
What is the SMILES notation for 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole?
The canonical SMILES for 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole is CS(=O)c1[nH]c2cc(Br)cc(Br)c2c1S(C)=O.
What is the InChIKey of 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole?
The InChIKey is AWVBMHXHQPJBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2S2/c1-16(14)9-8-6(12)3-5(11)4-7(8)13-10(9)17(2)15/h3-4,13H,1-2H3.
What are the key properties of 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole?
4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole has a molecular weight of 399.13 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2,3-bis(methylsulfinyl)-1H-indole is sourced from PubChem (CID 11440935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).