2,6-diphenyl-1H-1,3,5-triazine-4-thione

C15H11N3S — CID 790520

IUPAC2,6-diphenyl-1H-1,3,5-triazine-4-thione
SMILESS=c1nc(-c2ccccc2)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C15H11N3S/c19-15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H,16,17,18,19)
InChIKeyJHHQNRXSSMYSHA-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.87
Rot. Bonds2

About 2,6-diphenyl-1H-1,3,5-triazine-4-thione

2,6-diphenyl-1H-1,3,5-triazine-4-thione (PubChem CID 790520) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2,6-diphenyl-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2,6-diphenyl-1H-1,3,5-triazine-4-thione
PubChem CID790520
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2,6-diphenyl-1H-1,3,5-triazine-4-thione
SMILESS=c1nc(-c2ccccc2)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C15H11N3S/c19-15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H,16,17,18,19)
InChIKeyJHHQNRXSSMYSHA-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2,6-diphenyl-1H-1,3,5-triazine-4-thione (CID 790520) is 2,6-diphenyl-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2,6-diphenyl-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2,6-diphenyl-1H-1,3,5-triazine-4-thione is S=c1nc(-c2ccccc2)[nH]c(-c2ccccc2)n1.
What is the InChIKey of 2,6-diphenyl-1H-1,3,5-triazine-4-thione?
The InChIKey is JHHQNRXSSMYSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c19-15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H,16,17,18,19).
What are the key properties of 2,6-diphenyl-1H-1,3,5-triazine-4-thione?
2,6-diphenyl-1H-1,3,5-triazine-4-thione has a molecular weight of 265.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 790520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).