CID 173092489

H5N3O3S2 — CID 173092489

IUPAC—
SMILESNN(N)SS(=O)(=O)O
InChIInChI=1S/H5N3O3S2/c1-3(2)7-8(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyRGFNWUHJELVXLE-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.51
Rot. Bonds2

About CID 173092489

CID 173092489 (PubChem CID 173092489) has the molecular formula H5N3O3S2 and a molecular weight of 159.19 g/mol.

Molecular Properties

Compound NameCID 173092489
PubChem CID173092489
Molecular FormulaH5N3O3S2
Molecular Weight159.19 g/mol
Exact Mass158.98
IUPAC Name—
SMILESNN(N)SS(=O)(=O)O
InChIInChI=1S/H5N3O3S2/c1-3(2)7-8(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyRGFNWUHJELVXLE-UHFFFAOYSA-N
XLogP-1.51
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173092489?
The IUPAC name of CID 173092489 (CID 173092489) is not available.
What is the SMILES notation for CID 173092489?
The canonical SMILES for CID 173092489 is NN(N)SS(=O)(=O)O.
What is the InChIKey of CID 173092489?
The InChIKey is RGFNWUHJELVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N3O3S2/c1-3(2)7-8(4,5)6/h1-2H2,(H,4,5,6).
What are the key properties of CID 173092489?
CID 173092489 has a molecular weight of 159.19 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173092489 is sourced from PubChem (CID 173092489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).