guanidine;sulfuric acid

CH9N3O8S2 — CID 159331300

IUPACguanidine;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)(O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.2H2O4S/c2-1(3)4;2*1-5(2,3)4/h(H5,2,3,4);2*(H2,1,2,3,4)
InChIKeyLEZRVVKVLOZZIQ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-2.47
Rot. Bonds

About guanidine;sulfuric acid

guanidine;sulfuric acid (PubChem CID 159331300) has the molecular formula CH9N3O8S2 and a molecular weight of 255.23 g/mol. Its IUPAC name is guanidine;sulfuric acid.

Molecular Properties

Compound Nameguanidine;sulfuric acid
PubChem CID159331300
Molecular FormulaCH9N3O8S2
Molecular Weight255.23 g/mol
Exact Mass254.98
IUPAC Nameguanidine;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)(O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.2H2O4S/c2-1(3)4;2*1-5(2,3)4/h(H5,2,3,4);2*(H2,1,2,3,4)
InChIKeyLEZRVVKVLOZZIQ-UHFFFAOYSA-N
XLogP-2.47
TPSA225.09 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.23
LogP ≤ 5-2.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

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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Related Compounds

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CID 173300370
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CID 175425988
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CID 88778856
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Frequently Asked Questions

What is the IUPAC name of guanidine;sulfuric acid?
The IUPAC name of guanidine;sulfuric acid (CID 159331300) is guanidine;sulfuric acid.
What is the SMILES notation for guanidine;sulfuric acid?
The canonical SMILES for guanidine;sulfuric acid is O=S(=O)(O)O.O=S(=O)(O)O.[H]N=C(N)N.
What is the InChIKey of guanidine;sulfuric acid?
The InChIKey is LEZRVVKVLOZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.2H2O4S/c2-1(3)4;2*1-5(2,3)4/h(H5,2,3,4);2*(H2,1,2,3,4).
What are the key properties of guanidine;sulfuric acid?
guanidine;sulfuric acid has a molecular weight of 255.23 g/mol, XLogP of -2.47, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;sulfuric acid is sourced from PubChem (CID 159331300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).