3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione

C16H15N3S — CID 763786

IUPAC3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
SMILESCc1ccc(N2CN=C(c3ccccc3)NC2=S)cc1
InChIInChI=1S/C16H15N3S/c1-12-7-9-14(10-8-12)19-11-17-15(18-16(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,20)
InChIKeyAIMWEBWUEILSCH-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.09
Rot. Bonds2

About 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione

3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione (PubChem CID 763786) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
PubChem CID763786
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
SMILESCc1ccc(N2CN=C(c3ccccc3)NC2=S)cc1
InChIInChI=1S/C16H15N3S/c1-12-7-9-14(10-8-12)19-11-17-15(18-16(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,20)
InChIKeyAIMWEBWUEILSCH-UHFFFAOYSA-N
XLogP3.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
The IUPAC name of 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione (CID 763786) is 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione.
What is the SMILES notation for 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
The canonical SMILES for 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione is Cc1ccc(N2CN=C(c3ccccc3)NC2=S)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
The InChIKey is AIMWEBWUEILSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-12-7-9-14(10-8-12)19-11-17-15(18-16(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18,20).
What are the key properties of 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione?
3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione has a molecular weight of 281.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione is sourced from PubChem (CID 763786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).