2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine

C18H12N6S3 — CID 23626708

IUPAC2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine
SMILESc1ccc(Sc2nc(Sc3ccccn3)nc(Sc3ccccn3)n2)nc1
InChIInChI=1S/C18H12N6S3/c1-4-10-19-13(7-1)25-16-22-17(26-14-8-2-5-11-20-14)24-18(23-16)27-15-9-3-6-12-21-15/h1-12H
InChIKeyQHRZUPLQUGKCQP-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.51
Rot. Bonds6

About 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine

2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine (PubChem CID 23626708) has the molecular formula C18H12N6S3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine
PubChem CID23626708
Molecular FormulaC18H12N6S3
Molecular Weight408.54 g/mol
Exact Mass408.03
IUPAC Name2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine
SMILESc1ccc(Sc2nc(Sc3ccccn3)nc(Sc3ccccn3)n2)nc1
InChIInChI=1S/C18H12N6S3/c1-4-10-19-13(7-1)25-16-22-17(26-14-8-2-5-11-20-14)24-18(23-16)27-15-9-3-6-12-21-15/h1-12H
InChIKeyQHRZUPLQUGKCQP-UHFFFAOYSA-N
XLogP4.51
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine (CID 23626708) is 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine is c1ccc(Sc2nc(Sc3ccccn3)nc(Sc3ccccn3)n2)nc1.
What is the InChIKey of 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine?
The InChIKey is QHRZUPLQUGKCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6S3/c1-4-10-19-13(7-1)25-16-22-17(26-14-8-2-5-11-20-14)24-18(23-16)27-15-9-3-6-12-21-15/h1-12H.
What are the key properties of 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine?
2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine has a molecular weight of 408.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 23626708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).