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

C12H21N3S3 — CID 58689492

IUPAC2,4,6-tris(propylsulfanyl)-1,3,5-triazine
SMILESCCCSc1nc(SCCC)nc(SCCC)n1
InChIInChI=1S/C12H21N3S3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-9H2,1-3H3
InChIKeyNKEFCAXABOXPEP-UHFFFAOYSA-N
MW303.52 g/mol
LogP4.38
Rot. Bonds9

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

2,4,6-tris(propylsulfanyl)-1,3,5-triazine (PubChem CID 58689492) has the molecular formula C12H21N3S3 and a molecular weight of 303.52 g/mol. Its IUPAC name is 2,4,6-tris(propylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(propylsulfanyl)-1,3,5-triazine
PubChem CID58689492
Molecular FormulaC12H21N3S3
Molecular Weight303.52 g/mol
Exact Mass303.09
IUPAC Name2,4,6-tris(propylsulfanyl)-1,3,5-triazine
SMILESCCCSc1nc(SCCC)nc(SCCC)n1
InChIInChI=1S/C12H21N3S3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-9H2,1-3H3
InChIKeyNKEFCAXABOXPEP-UHFFFAOYSA-N
XLogP4.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 54.38
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(propylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(propylsulfanyl)-1,3,5-triazine (CID 58689492) is 2,4,6-tris(propylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(propylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(propylsulfanyl)-1,3,5-triazine is CCCSc1nc(SCCC)nc(SCCC)n1.
What is the InChIKey of 2,4,6-tris(propylsulfanyl)-1,3,5-triazine?
The InChIKey is NKEFCAXABOXPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S3/c1-4-7-16-10-13-11(17-8-5-2)15-12(14-10)18-9-6-3/h4-9H2,1-3H3.
What are the key properties of 2,4,6-tris(propylsulfanyl)-1,3,5-triazine?
2,4,6-tris(propylsulfanyl)-1,3,5-triazine has a molecular weight of 303.52 g/mol, XLogP of 4.38, 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(propylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 58689492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).