4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine

C19H16Cl2N4O2S — CID 2799302

IUPAC4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine
SMILESClc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCSCC3)n2)cc1
InChIInChI=1S/C19H16Cl2N4O2S/c20-13-1-5-15(6-2-13)26-18-22-17(25-9-11-28-12-10-25)23-19(24-18)27-16-7-3-14(21)4-8-16/h1-8H,9-12H2
InChIKeyFQYFZANPLWVERM-UHFFFAOYSA-N
MW435.34 g/mol
LogP5.32
Rot. Bonds5

About 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine

4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine (PubChem CID 2799302) has the molecular formula C19H16Cl2N4O2S and a molecular weight of 435.34 g/mol. Its IUPAC name is 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine
PubChem CID2799302
Molecular FormulaC19H16Cl2N4O2S
Molecular Weight435.34 g/mol
Exact Mass434.04
IUPAC Name4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine
SMILESClc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCSCC3)n2)cc1
InChIInChI=1S/C19H16Cl2N4O2S/c20-13-1-5-15(6-2-13)26-18-22-17(25-9-11-28-12-10-25)23-19(24-18)27-16-7-3-14(21)4-8-16/h1-8H,9-12H2
InChIKeyFQYFZANPLWVERM-UHFFFAOYSA-N
XLogP5.32
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine?
The IUPAC name of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine (CID 2799302) is 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine?
The canonical SMILES for 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine is Clc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCSCC3)n2)cc1.
What is the InChIKey of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine?
The InChIKey is FQYFZANPLWVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2S/c20-13-1-5-15(6-2-13)26-18-22-17(25-9-11-28-12-10-25)23-19(24-18)27-16-7-3-14(21)4-8-16/h1-8H,9-12H2.
What are the key properties of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine?
4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine has a molecular weight of 435.34 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine is sourced from PubChem (CID 2799302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).