2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine

C18H33N3S3 — CID 58689489

IUPAC2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine
SMILESCC(C)C(C)Sc1nc(SC(C)C(C)C)nc(SC(C)C(C)C)n1
InChIInChI=1S/C18H33N3S3/c1-10(2)13(7)22-16-19-17(23-14(8)11(3)4)21-18(20-16)24-15(9)12(5)6/h10-15H,1-9H3
InChIKeyZKUSAECPNDYZKI-UHFFFAOYSA-N
MW387.68 g/mol
LogP6.28
Rot. Bonds9

About 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine

2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine (PubChem CID 58689489) has the molecular formula C18H33N3S3 and a molecular weight of 387.68 g/mol. Its IUPAC name is 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine
PubChem CID58689489
Molecular FormulaC18H33N3S3
Molecular Weight387.68 g/mol
Exact Mass387.18
IUPAC Name2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine
SMILESCC(C)C(C)Sc1nc(SC(C)C(C)C)nc(SC(C)C(C)C)n1
InChIInChI=1S/C18H33N3S3/c1-10(2)13(7)22-16-19-17(23-14(8)11(3)4)21-18(20-16)24-15(9)12(5)6/h10-15H,1-9H3
InChIKeyZKUSAECPNDYZKI-UHFFFAOYSA-N
XLogP6.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.68
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-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 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine (CID 58689489) is 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine is CC(C)C(C)Sc1nc(SC(C)C(C)C)nc(SC(C)C(C)C)n1.
What is the InChIKey of 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine?
The InChIKey is ZKUSAECPNDYZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3S3/c1-10(2)13(7)22-16-19-17(23-14(8)11(3)4)21-18(20-16)24-15(9)12(5)6/h10-15H,1-9H3.
What are the key properties of 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine?
2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine has a molecular weight of 387.68 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(3-methylbutan-2-ylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58689489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).