2-ethylguanidine;sulfuric acid

C3H11N3O4S — CID 6453557

IUPAC2-ethylguanidine;sulfuric acid
SMILESCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C3H9N3.H2O4S/c1-2-6-3(4)5;1-5(2,3)4/h2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)
InChIKeyYAFKKDALCCJKSY-UHFFFAOYSA-N
MW185.20 g/mol
LogP-1.37
Rot. Bonds1

About 2-ethylguanidine;sulfuric acid

2-ethylguanidine;sulfuric acid (PubChem CID 6453557) has the molecular formula C3H11N3O4S and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-ethylguanidine;sulfuric acid.

Molecular Properties

Compound Name2-ethylguanidine;sulfuric acid
PubChem CID6453557
Molecular FormulaC3H11N3O4S
Molecular Weight185.20 g/mol
Exact Mass185.05
IUPAC Name2-ethylguanidine;sulfuric acid
SMILESCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C3H9N3.H2O4S/c1-2-6-3(4)5;1-5(2,3)4/h2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)
InChIKeyYAFKKDALCCJKSY-UHFFFAOYSA-N
XLogP-1.37
TPSA139.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 2-ethylguanidine;sulfuric acid?
The IUPAC name of 2-ethylguanidine;sulfuric acid (CID 6453557) is 2-ethylguanidine;sulfuric acid.
What is the SMILES notation for 2-ethylguanidine;sulfuric acid?
The canonical SMILES for 2-ethylguanidine;sulfuric acid is CCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-ethylguanidine;sulfuric acid?
The InChIKey is YAFKKDALCCJKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.H2O4S/c1-2-6-3(4)5;1-5(2,3)4/h2H2,1H3,(H4,4,5,6);(H2,1,2,3,4).
What are the key properties of 2-ethylguanidine;sulfuric acid?
2-ethylguanidine;sulfuric acid has a molecular weight of 185.20 g/mol, XLogP of -1.37, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylguanidine;sulfuric acid is sourced from PubChem (CID 6453557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).