2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine

C11H17Cl2N3S — CID 175575169

IUPAC2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine
SMILESCCCCC(CC)CSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2N3S/c1-3-5-6-8(4-2)7-17-11-15-9(12)14-10(13)16-11/h8H,3-7H2,1-2H3
InChIKeyBOTINAXTADHIDE-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.49
Rot. Bonds7

About 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine

2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine (PubChem CID 175575169) has the molecular formula C11H17Cl2N3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine
PubChem CID175575169
Molecular FormulaC11H17Cl2N3S
Molecular Weight294.25 g/mol
Exact Mass293.05
IUPAC Name2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine
SMILESCCCCC(CC)CSc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H17Cl2N3S/c1-3-5-6-8(4-2)7-17-11-15-9(12)14-10(13)16-11/h8H,3-7H2,1-2H3
InChIKeyBOTINAXTADHIDE-UHFFFAOYSA-N
XLogP4.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine (CID 175575169) is 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine is CCCCC(CC)CSc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine?
The InChIKey is BOTINAXTADHIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3S/c1-3-5-6-8(4-2)7-17-11-15-9(12)14-10(13)16-11/h8H,3-7H2,1-2H3.
What are the key properties of 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine?
2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine has a molecular weight of 294.25 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-ethylhexylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 175575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).