2-hydroxyguanidine;sulfuric acid;hydrate

CH9N3O6S — CID 86674791

IUPAC2-hydroxyguanidine;sulfuric acid;hydrate
SMILESNC(N)=NO.O.O=S(=O)(O)O
InChIInChI=1S/CH5N3O.H2O4S.H2O/c2-1(3)4-5;1-5(2,3)4;/h5H,(H4,2,3,4);(H2,1,2,3,4);1H2
InChIKeyUSXDSOBKRLJYJU-UHFFFAOYSA-N
MW191.16 g/mol
LogP-2.83
Rot. Bonds

About 2-hydroxyguanidine;sulfuric acid;hydrate

2-hydroxyguanidine;sulfuric acid;hydrate (PubChem CID 86674791) has the molecular formula CH9N3O6S and a molecular weight of 191.16 g/mol. Its IUPAC name is 2-hydroxyguanidine;sulfuric acid;hydrate.

Molecular Properties

Compound Name2-hydroxyguanidine;sulfuric acid;hydrate
PubChem CID86674791
Molecular FormulaCH9N3O6S
Molecular Weight191.16 g/mol
Exact Mass191.02
IUPAC Name2-hydroxyguanidine;sulfuric acid;hydrate
SMILESNC(N)=NO.O.O=S(=O)(O)O
InChIInChI=1S/CH5N3O.H2O4S.H2O/c2-1(3)4-5;1-5(2,3)4;/h5H,(H4,2,3,4);(H2,1,2,3,4);1H2
InChIKeyUSXDSOBKRLJYJU-UHFFFAOYSA-N
XLogP-2.83
TPSA190.73 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyguanidine;sulfuric acid;hydrate?
The IUPAC name of 2-hydroxyguanidine;sulfuric acid;hydrate (CID 86674791) is 2-hydroxyguanidine;sulfuric acid;hydrate.
What is the SMILES notation for 2-hydroxyguanidine;sulfuric acid;hydrate?
The canonical SMILES for 2-hydroxyguanidine;sulfuric acid;hydrate is NC(N)=NO.O.O=S(=O)(O)O.
What is the InChIKey of 2-hydroxyguanidine;sulfuric acid;hydrate?
The InChIKey is USXDSOBKRLJYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3O.H2O4S.H2O/c2-1(3)4-5;1-5(2,3)4;/h5H,(H4,2,3,4);(H2,1,2,3,4);1H2.
What are the key properties of 2-hydroxyguanidine;sulfuric acid;hydrate?
2-hydroxyguanidine;sulfuric acid;hydrate has a molecular weight of 191.16 g/mol, XLogP of -2.83, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyguanidine;sulfuric acid;hydrate is sourced from PubChem (CID 86674791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).