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

C10H9Br2NS2 — CID 14185853

IUPAC4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole
SMILESCSc1[nH]c2cc(Br)cc(Br)c2c1SC
InChIInChI=1S/C10H9Br2NS2/c1-14-9-8-6(12)3-5(11)4-7(8)13-10(9)15-2/h3-4,13H,1-2H3
InChIKeyVFRWRXMTBJUTRK-UHFFFAOYSA-N
MW367.13 g/mol
LogP5.14
Rot. Bonds2

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

4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole (PubChem CID 14185853) has the molecular formula C10H9Br2NS2 and a molecular weight of 367.13 g/mol. Its IUPAC name is 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole.

Molecular Properties

Compound Name4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole
PubChem CID14185853
Molecular FormulaC10H9Br2NS2
Molecular Weight367.13 g/mol
Exact Mass364.85
IUPAC Name4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole
SMILESCSc1[nH]c2cc(Br)cc(Br)c2c1SC
InChIInChI=1S/C10H9Br2NS2/c1-14-9-8-6(12)3-5(11)4-7(8)13-10(9)15-2/h3-4,13H,1-2H3
InChIKeyVFRWRXMTBJUTRK-UHFFFAOYSA-N
XLogP5.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.13
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole?
The IUPAC name of 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole (CID 14185853) is 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole.
What is the SMILES notation for 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole?
The canonical SMILES for 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole is CSc1[nH]c2cc(Br)cc(Br)c2c1SC.
What is the InChIKey of 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole?
The InChIKey is VFRWRXMTBJUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NS2/c1-14-9-8-6(12)3-5(11)4-7(8)13-10(9)15-2/h3-4,13H,1-2H3.
What are the key properties of 4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole?
4,6-dibromo-2,3-bis(methylsulfanyl)-1H-indole has a molecular weight of 367.13 g/mol, XLogP of 5.14, 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(methylsulfanyl)-1H-indole is sourced from PubChem (CID 14185853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).