tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane

C9H4Cl7N3S — CID 88812517

IUPACtetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane
SMILESClc1nc(Cl)nc(S(Cl)(Cl)(Cl)(Cl)c2ccccc2Cl)n1
InChIInChI=1S/C9H4Cl7N3S/c10-5-3-1-2-4-6(5)20(13,14,15,16)9-18-7(11)17-8(12)19-9/h1-4H
InChIKeyFETUFDASCOJKCA-UHFFFAOYSA-N
MW434.39 g/mol
LogP6.74
Rot. Bonds2

About tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane

tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane (PubChem CID 88812517) has the molecular formula C9H4Cl7N3S and a molecular weight of 434.39 g/mol. Its IUPAC name is tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane.

Molecular Properties

Compound Nametetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane
PubChem CID88812517
Molecular FormulaC9H4Cl7N3S
Molecular Weight434.39 g/mol
Exact Mass430.79
IUPAC Nametetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane
SMILESClc1nc(Cl)nc(S(Cl)(Cl)(Cl)(Cl)c2ccccc2Cl)n1
InChIInChI=1S/C9H4Cl7N3S/c10-5-3-1-2-4-6(5)20(13,14,15,16)9-18-7(11)17-8(12)19-9/h1-4H
InChIKeyFETUFDASCOJKCA-UHFFFAOYSA-N
XLogP6.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane?
The IUPAC name of tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane (CID 88812517) is tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane.
What is the SMILES notation for tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane?
The canonical SMILES for tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane is Clc1nc(Cl)nc(S(Cl)(Cl)(Cl)(Cl)c2ccccc2Cl)n1.
What is the InChIKey of tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane?
The InChIKey is FETUFDASCOJKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl7N3S/c10-5-3-1-2-4-6(5)20(13,14,15,16)9-18-7(11)17-8(12)19-9/h1-4H.
What are the key properties of tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane?
tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane has a molecular weight of 434.39 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetrachloro-(2-chlorophenyl)-(4,6-dichloro-1,3,5-triazin-2-yl)-λ6-sulfane is sourced from PubChem (CID 88812517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).