hydroxyurea;sulfuric acid

CH6N2O6S — CID 170163620

IUPAChydroxyurea;sulfuric acid
SMILESNC(=O)NO.O=S(=O)(O)O
InChIInChI=1S/CH4N2O2.H2O4S/c2-1(4)3-5;1-5(2,3)4/h5H,(H3,2,3,4);(H2,1,2,3,4)
InChIKeyGTJASCLEZVQDTL-UHFFFAOYSA-N
MW174.13 g/mol
LogP-1.61
Rot. Bonds

About hydroxyurea;sulfuric acid

hydroxyurea;sulfuric acid (PubChem CID 170163620) has the molecular formula CH6N2O6S and a molecular weight of 174.13 g/mol. Its IUPAC name is hydroxyurea;sulfuric acid.

Molecular Properties

Compound Namehydroxyurea;sulfuric acid
PubChem CID170163620
Molecular FormulaCH6N2O6S
Molecular Weight174.13 g/mol
Exact Mass173.99
IUPAC Namehydroxyurea;sulfuric acid
SMILESNC(=O)NO.O=S(=O)(O)O
InChIInChI=1S/CH4N2O2.H2O4S/c2-1(4)3-5;1-5(2,3)4/h5H,(H3,2,3,4);(H2,1,2,3,4)
InChIKeyGTJASCLEZVQDTL-UHFFFAOYSA-N
XLogP-1.61
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 hydroxyurea;sulfuric acid?
The IUPAC name of hydroxyurea;sulfuric acid (CID 170163620) is hydroxyurea;sulfuric acid.
What is the SMILES notation for hydroxyurea;sulfuric acid?
The canonical SMILES for hydroxyurea;sulfuric acid is NC(=O)NO.O=S(=O)(O)O.
What is the InChIKey of hydroxyurea;sulfuric acid?
The InChIKey is GTJASCLEZVQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O2.H2O4S/c2-1(4)3-5;1-5(2,3)4/h5H,(H3,2,3,4);(H2,1,2,3,4).
What are the key properties of hydroxyurea;sulfuric acid?
hydroxyurea;sulfuric acid has a molecular weight of 174.13 g/mol, XLogP of -1.61, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyurea;sulfuric acid is sourced from PubChem (CID 170163620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).