bis(2-ethylguanidine);sulfuric acid

C6H20N6O4S — CID 2734809

IUPACbis(2-ethylguanidine);sulfuric acid
SMILESCCN=C(N)N.CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)
InChIKeyUKQVDMIAGTYDFN-UHFFFAOYSA-N
MW272.33 g/mol
LogP-2.09
Rot. Bonds2

About bis(2-ethylguanidine);sulfuric acid

bis(2-ethylguanidine);sulfuric acid (PubChem CID 2734809) has the molecular formula C6H20N6O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is bis(2-ethylguanidine);sulfuric acid.

Molecular Properties

Compound Namebis(2-ethylguanidine);sulfuric acid
PubChem CID2734809
Molecular FormulaC6H20N6O4S
Molecular Weight272.33 g/mol
Exact Mass272.13
IUPAC Namebis(2-ethylguanidine);sulfuric acid
SMILESCCN=C(N)N.CCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)
InChIKeyUKQVDMIAGTYDFN-UHFFFAOYSA-N
XLogP-2.09
TPSA203.40 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.33
LogP ≤ 5-2.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-ethylguanidine);sulfuric acid?
The IUPAC name of bis(2-ethylguanidine);sulfuric acid (CID 2734809) is bis(2-ethylguanidine);sulfuric acid.
What is the SMILES notation for bis(2-ethylguanidine);sulfuric acid?
The canonical SMILES for bis(2-ethylguanidine);sulfuric acid is CCN=C(N)N.CCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of bis(2-ethylguanidine);sulfuric acid?
The InChIKey is UKQVDMIAGTYDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4).
What are the key properties of bis(2-ethylguanidine);sulfuric acid?
bis(2-ethylguanidine);sulfuric acid has a molecular weight of 272.33 g/mol, XLogP of -2.09, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylguanidine);sulfuric acid is sourced from PubChem (CID 2734809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).