6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one

C11H11N3OS — CID 15268754

IUPAC6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
SMILESCSc1nc(-c2ccc(C)cc2)[nH]c(=O)n1
InChIInChI=1S/C11H11N3OS/c1-7-3-5-8(6-4-7)9-12-10(15)14-11(13-9)16-2/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyOYRLNARPNZYKMK-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.86
Rot. Bonds2

About 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one

6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one (PubChem CID 15268754) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
PubChem CID15268754
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
SMILESCSc1nc(-c2ccc(C)cc2)[nH]c(=O)n1
InChIInChI=1S/C11H11N3OS/c1-7-3-5-8(6-4-7)9-12-10(15)14-11(13-9)16-2/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyOYRLNARPNZYKMK-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
CID 135427225
4-Amino-6-phenyl-s-triazine-2-ol
CID 135408760
4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-ol
CID 15961
AC1Mdxvq
CID 2818525
3-(4-Methylphenyl)-5-oxo-4,5-dihydro-1,2,4-thiadiazole
CID 135697429
6-(4-chlorophenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
CID 2818533
6-(4-methylphenyl)-4-sulfanylidene-1H-1,3,5-triazin-2-one
CID 12582389
4,6-Bis(4-methylphenyl)-1,3,5-triazin-2(1H)-one
CID 135402212
6-Phenyl-1,3,5-triazine-2,4(1H,3H)-dione
CID 24036
4-methylsulfanyl-6-phenyl-1H-1,3,5-triazine-2-thione
CID 12571207
4-(tert-butylsulfanyl)-6-phenyl-1,3,5-triazine-2(5H)-thione
CID 168300911
6-(4-methylphenyl)-1H-1,3,5-triazine-2,4-dione
CID 10488352

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one (CID 15268754) is 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one is CSc1nc(-c2ccc(C)cc2)[nH]c(=O)n1.
What is the InChIKey of 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one?
The InChIKey is OYRLNARPNZYKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-3-5-8(6-4-7)9-12-10(15)14-11(13-9)16-2/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one?
6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one has a molecular weight of 233.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 15268754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).