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

C11H17Cl2N3S — CID 14533894

IUPAC2,4-dichloro-6-octylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2N3S/c1-2-3-4-5-6-7-8-17-11-15-9(12)14-10(13)16-11/h2-8H2,1H3
InChIKeyHDGOOZMKGNBUMK-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.63
Rot. Bonds8

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

2,4-dichloro-6-octylsulfanyl-1,3,5-triazine (PubChem CID 14533894) has the molecular formula C11H17Cl2N3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-octylsulfanyl-1,3,5-triazine
PubChem CID14533894
Molecular FormulaC11H17Cl2N3S
Molecular Weight294.25 g/mol
Exact Mass293.05
IUPAC Name2,4-dichloro-6-octylsulfanyl-1,3,5-triazine
SMILESCCCCCCCCSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2N3S/c1-2-3-4-5-6-7-8-17-11-15-9(12)14-10(13)16-11/h2-8H2,1H3
InChIKeyHDGOOZMKGNBUMK-UHFFFAOYSA-N
XLogP4.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dichloro-6-octylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine (CID 14533894) is 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine is CCCCCCCCSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine?
The InChIKey is HDGOOZMKGNBUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3S/c1-2-3-4-5-6-7-8-17-11-15-9(12)14-10(13)16-11/h2-8H2,1H3.
What are the key properties of 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine?
2,4-dichloro-6-octylsulfanyl-1,3,5-triazine has a molecular weight of 294.25 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-octylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 14533894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).