2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione

C17H15N3S — CID 3032885

IUPAC2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccc(-c2nc(=S)nc(-c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C17H15N3S/c1-11-3-7-13(8-4-11)15-18-16(20-17(21)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyGFEDXAREHWNSMU-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.49
Rot. Bonds2

About 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione

2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione (PubChem CID 3032885) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione
PubChem CID3032885
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione
SMILESCc1ccc(-c2nc(=S)nc(-c3ccc(C)cc3)[nH]2)cc1
InChIInChI=1S/C17H15N3S/c1-11-3-7-13(8-4-11)15-18-16(20-17(21)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyGFEDXAREHWNSMU-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(4-ethylphenyl)-1H-1,3,5-triazine-4-thione
CID 115279072
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione
CID 10488352
2-(4-methylphenyl)-6-propyl-1H-pyrimidine-4-thione
CID 94076925
2-(4-tert-butylphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106516642
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile
CID 82373758
8-(4-methylphenyl)-3,7-dihydropurine-2,6-dione
CID 113229238
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
6-(2-fluoro-5-methylphenyl)-2-phenyl-1H-pyrimidine-4-thione
CID 106514190
2-amino-6-(2-bromo-4-methylphenyl)-1H-1,3,5-triazine-4-thione
CID 83240894

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione (CID 3032885) is 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione is Cc1ccc(-c2nc(=S)nc(-c3ccc(C)cc3)[nH]2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is GFEDXAREHWNSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-11-3-7-13(8-4-11)15-18-16(20-17(21)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,18,19,20,21).
What are the key properties of 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione?
2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 293.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 3032885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).