2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine

C16H13N3S2 — CID 58600041

IUPAC2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine
SMILESCc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C16H13N3S2/c1-12-17-15(20-13-8-4-2-5-9-13)19-16(18-12)21-14-10-6-3-7-11-14/h2-11H,1H3
InChIKeySYZMVKOXFPZMGE-UHFFFAOYSA-N
MW311.44 g/mol
LogP4.48
Rot. Bonds4

About 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine

2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine (PubChem CID 58600041) has the molecular formula C16H13N3S2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine
PubChem CID58600041
Molecular FormulaC16H13N3S2
Molecular Weight311.44 g/mol
Exact Mass311.06
IUPAC Name2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine
SMILESCc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1
InChIInChI=1S/C16H13N3S2/c1-12-17-15(20-13-8-4-2-5-9-13)19-16(18-12)21-14-10-6-3-7-11-14/h2-11H,1H3
InChIKeySYZMVKOXFPZMGE-UHFFFAOYSA-N
XLogP4.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine (CID 58600041) is 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine is Cc1nc(Sc2ccccc2)nc(Sc2ccccc2)n1.
What is the InChIKey of 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
The InChIKey is SYZMVKOXFPZMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S2/c1-12-17-15(20-13-8-4-2-5-9-13)19-16(18-12)21-14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine?
2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine has a molecular weight of 311.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58600041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).