CID 173398815

H4N6O4S — CID 173398815

IUPAC—
SMILESN#[N+]N.N#[N+]N.O=S(=O)([O-])[O-]
InChIInChI=1S/2H2N3.H2O4S/c2*1-3-2;1-5(2,3)4/h2*1H2;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyLFDNMLJTIHJWJF-UHFFFAOYSA-L
MW184.14 g/mol
LogP-1.91
Rot. Bonds

About CID 173398815

CID 173398815 (PubChem CID 173398815) has the molecular formula H4N6O4S and a molecular weight of 184.14 g/mol.

Molecular Properties

Compound NameCID 173398815
PubChem CID173398815
Molecular FormulaH4N6O4S
Molecular Weight184.14 g/mol
Exact Mass184.00
IUPAC Name—
SMILESN#[N+]N.N#[N+]N.O=S(=O)([O-])[O-]
InChIInChI=1S/2H2N3.H2O4S/c2*1-3-2;1-5(2,3)4/h2*1H2;(H2,1,2,3,4)/q2*+1;/p-2
InChIKeyLFDNMLJTIHJWJF-UHFFFAOYSA-L
XLogP-1.91
TPSA188.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173398815?
The IUPAC name of CID 173398815 (CID 173398815) is not available.
What is the SMILES notation for CID 173398815?
The canonical SMILES for CID 173398815 is N#[N+]N.N#[N+]N.O=S(=O)([O-])[O-].
What is the InChIKey of CID 173398815?
The InChIKey is LFDNMLJTIHJWJF-UHFFFAOYSA-L. The full InChI is InChI=1S/2H2N3.H2O4S/c2*1-3-2;1-5(2,3)4/h2*1H2;(H2,1,2,3,4)/q2*+1;/p-2.
What are the key properties of CID 173398815?
CID 173398815 has a molecular weight of 184.14 g/mol, XLogP of -1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173398815 is sourced from PubChem (CID 173398815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).