2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine

C13H23N3O2S — CID 163583599

IUPAC2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCSc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-7-8-9-10-19-13-15-11(17-2)14-12(16-13)18-3/h4-10H2,1-3H3
InChIKeyGJQBGUAHJRTGAU-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.34
Rot. Bonds10

About 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine

2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine (PubChem CID 163583599) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine
PubChem CID163583599
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCSc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-7-8-9-10-19-13-15-11(17-2)14-12(16-13)18-3/h4-10H2,1-3H3
InChIKeyGJQBGUAHJRTGAU-UHFFFAOYSA-N
XLogP3.34
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine (CID 163583599) is 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine is CCCCCCCCSc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine?
The InChIKey is GJQBGUAHJRTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-5-6-7-8-9-10-19-13-15-11(17-2)14-12(16-13)18-3/h4-10H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine?
2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine has a molecular weight of 285.41 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-octylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 163583599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).