disodium;tris(1H-indole);sulfide

C24H21N3Na2S — CID 67840647

IUPACdisodium;tris(1H-indole);sulfide
SMILES[Na+].[Na+].[S-2].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/3C8H7N.2Na.S/c3*1-2-4-8-7(3-1)5-6-9-8;;;/h3*1-6,9H;;;/q;;;2*+1;-2
InChIKeySVWYJDAYZNEZII-UHFFFAOYSA-N
MW429.50 g/mol
LogP0.51
Rot. Bonds

About disodium;tris(1H-indole);sulfide

disodium;tris(1H-indole);sulfide (PubChem CID 67840647) has the molecular formula C24H21N3Na2S and a molecular weight of 429.50 g/mol. Its IUPAC name is disodium;tris(1H-indole);sulfide.

Molecular Properties

Compound Namedisodium;tris(1H-indole);sulfide
PubChem CID67840647
Molecular FormulaC24H21N3Na2S
Molecular Weight429.50 g/mol
Exact Mass429.13
IUPAC Namedisodium;tris(1H-indole);sulfide
SMILES[Na+].[Na+].[S-2].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/3C8H7N.2Na.S/c3*1-2-4-8-7(3-1)5-6-9-8;;;/h3*1-6,9H;;;/q;;;2*+1;-2
InChIKeySVWYJDAYZNEZII-UHFFFAOYSA-N
XLogP0.51
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of disodium;tris(1H-indole);sulfide?
The IUPAC name of disodium;tris(1H-indole);sulfide (CID 67840647) is disodium;tris(1H-indole);sulfide.
What is the SMILES notation for disodium;tris(1H-indole);sulfide?
The canonical SMILES for disodium;tris(1H-indole);sulfide is [Na+].[Na+].[S-2].c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of disodium;tris(1H-indole);sulfide?
The InChIKey is SVWYJDAYZNEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H7N.2Na.S/c3*1-2-4-8-7(3-1)5-6-9-8;;;/h3*1-6,9H;;;/q;;;2*+1;-2.
What are the key properties of disodium;tris(1H-indole);sulfide?
disodium;tris(1H-indole);sulfide has a molecular weight of 429.50 g/mol, XLogP of 0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;tris(1H-indole);sulfide is sourced from PubChem (CID 67840647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).