bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid

C18H26Cl4N8O6S — CID 21124335

IUPACbis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid
SMILESNC(N)=NNCCOc1c(Cl)cccc1Cl.NC(N)=NNCCOc1c(Cl)cccc1Cl.O=S(=O)(O)O
InChIInChI=1S/2C9H12Cl2N4O.H2O4S/c2*10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13;1-5(2,3)4/h2*1-3,14H,4-5H2,(H4,12,13,15);(H2,1,2,3,4)
InChIKeyOLLMPVQGLMNQQK-UHFFFAOYSA-N
MW624.34 g/mol
LogP1.65
Rot. Bonds10

About bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid

bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid (PubChem CID 21124335) has the molecular formula C18H26Cl4N8O6S and a molecular weight of 624.34 g/mol. Its IUPAC name is bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid.

Molecular Properties

Compound Namebis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid
PubChem CID21124335
Molecular FormulaC18H26Cl4N8O6S
Molecular Weight624.34 g/mol
Exact Mass622.05
IUPAC Namebis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid
SMILESNC(N)=NNCCOc1c(Cl)cccc1Cl.NC(N)=NNCCOc1c(Cl)cccc1Cl.O=S(=O)(O)O
InChIInChI=1S/2C9H12Cl2N4O.H2O4S/c2*10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13;1-5(2,3)4/h2*1-3,14H,4-5H2,(H4,12,13,15);(H2,1,2,3,4)
InChIKeyOLLMPVQGLMNQQK-UHFFFAOYSA-N
XLogP1.65
TPSA245.92 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.34
LogP ≤ 51.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid?
The IUPAC name of bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid (CID 21124335) is bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid.
What is the SMILES notation for bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid?
The canonical SMILES for bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid is NC(N)=NNCCOc1c(Cl)cccc1Cl.NC(N)=NNCCOc1c(Cl)cccc1Cl.O=S(=O)(O)O.
What is the InChIKey of bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid?
The InChIKey is OLLMPVQGLMNQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12Cl2N4O.H2O4S/c2*10-6-2-1-3-7(11)8(6)16-5-4-14-15-9(12)13;1-5(2,3)4/h2*1-3,14H,4-5H2,(H4,12,13,15);(H2,1,2,3,4).
What are the key properties of bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid?
bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid has a molecular weight of 624.34 g/mol, XLogP of 1.65, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-(2,6-dichlorophenoxy)ethylamino]guanidine);sulfuric acid is sourced from PubChem (CID 21124335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).