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

C15H27N3S3 — CID 58689499

IUPAC2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine
SMILESCC(C)CSc1nc(SCC(C)C)nc(SCC(C)C)n1
InChIInChI=1S/C15H27N3S3/c1-10(2)7-19-13-16-14(20-8-11(3)4)18-15(17-13)21-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyRLLQEMYLTVWNIC-UHFFFAOYSA-N
MW345.60 g/mol
LogP5.12
Rot. Bonds9

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

2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine (PubChem CID 58689499) has the molecular formula C15H27N3S3 and a molecular weight of 345.60 g/mol. Its IUPAC name is 2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine
PubChem CID58689499
Molecular FormulaC15H27N3S3
Molecular Weight345.60 g/mol
Exact Mass345.14
IUPAC Name2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine
SMILESCC(C)CSc1nc(SCC(C)C)nc(SCC(C)C)n1
InChIInChI=1S/C15H27N3S3/c1-10(2)7-19-13-16-14(20-8-11(3)4)18-15(17-13)21-9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKeyRLLQEMYLTVWNIC-UHFFFAOYSA-N
XLogP5.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.60
LogP ≤ 55.12
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(2-methylpropylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine (CID 58689499) is 2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine is CC(C)CSc1nc(SCC(C)C)nc(SCC(C)C)n1.
What is the InChIKey of 2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine?
The InChIKey is RLLQEMYLTVWNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S3/c1-10(2)7-19-13-16-14(20-8-11(3)4)18-15(17-13)21-9-12(5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine?
2,4,6-tris(2-methylpropylsulfanyl)-1,3,5-triazine has a molecular weight of 345.60 g/mol, XLogP of 5.12, 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(2-methylpropylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58689499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).