2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine

C15H27N3S3 — CID 58689490

IUPAC2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine
SMILESCC(C)(C)Sc1nc(SC(C)(C)C)nc(SC(C)(C)C)n1
InChIInChI=1S/C15H27N3S3/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-15(7,8)9/h1-9H3
InChIKeyXZMNSHHIOJERHK-UHFFFAOYSA-N
MW345.60 g/mol
LogP5.54
Rot. Bonds3

About 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine

2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine (PubChem CID 58689490) has the molecular formula C15H27N3S3 and a molecular weight of 345.60 g/mol. Its IUPAC name is 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine
PubChem CID58689490
Molecular FormulaC15H27N3S3
Molecular Weight345.60 g/mol
Exact Mass345.14
IUPAC Name2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine
SMILESCC(C)(C)Sc1nc(SC(C)(C)C)nc(SC(C)(C)C)n1
InChIInChI=1S/C15H27N3S3/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-15(7,8)9/h1-9H3
InChIKeyXZMNSHHIOJERHK-UHFFFAOYSA-N
XLogP5.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine (CID 58689490) is 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine is CC(C)(C)Sc1nc(SC(C)(C)C)nc(SC(C)(C)C)n1.
What is the InChIKey of 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine?
The InChIKey is XZMNSHHIOJERHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S3/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-15(7,8)9/h1-9H3.
What are the key properties of 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine?
2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine has a molecular weight of 345.60 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(tert-butylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58689490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).