sodium;azane;nitrous acid;sulfane;nitrate

H6N3NaO5S — CID 172727872

IUPACsodium;azane;nitrous acid;sulfane;nitrate
SMILESN.O=NO.O=[N+]([O-])[O-].S.[Na+]
InChIInChI=1S/NO3.HNO2.H3N.Na.H2S/c2-1(3)4;2-1-3;;;/h;(H,2,3);1H3;;1H2/q-1;;;+1;
InChIKeyHJTXLVWTKSRLHF-UHFFFAOYSA-N
MW183.12 g/mol
LogP-2.82
Rot. Bonds

About sodium;azane;nitrous acid;sulfane;nitrate

sodium;azane;nitrous acid;sulfane;nitrate (PubChem CID 172727872) has the molecular formula H6N3NaO5S and a molecular weight of 183.12 g/mol. Its IUPAC name is sodium;azane;nitrous acid;sulfane;nitrate.

Molecular Properties

Compound Namesodium;azane;nitrous acid;sulfane;nitrate
PubChem CID172727872
Molecular FormulaH6N3NaO5S
Molecular Weight183.12 g/mol
Exact Mass182.99
IUPAC Namesodium;azane;nitrous acid;sulfane;nitrate
SMILESN.O=NO.O=[N+]([O-])[O-].S.[Na+]
InChIInChI=1S/NO3.HNO2.H3N.Na.H2S/c2-1(3)4;2-1-3;;;/h;(H,2,3);1H3;;1H2/q-1;;;+1;
InChIKeyHJTXLVWTKSRLHF-UHFFFAOYSA-N
XLogP-2.82
TPSA150.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-2.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nitric acid;nitrous acid;hydrochloride
CID 173075414
sodium;azane;nitric acid;nitrous acid;sulfuric acid;chloride
CID 159120383
CID 156592461
CID 156592461
azane;nitrous acid
CID 172699271
sodium;azane;hydride;nitrous acid;hydrochloride
CID 174646560
nitrate nitrite
CID 22182872
disodium;phosphoric acid;nitrate;nitrite
CID 22990456
sodium;nitric acid;nitrite
CID 22990458
sodium;nitrate;decahydrate
CID 163206513
pentasodium;hydride;nitrous acid
CID 173338442
sodium;argon;nitrate
CID 174916471
chloranium;sodium;dinitrate
CID 161429645

Frequently Asked Questions

What is the IUPAC name of sodium;azane;nitrous acid;sulfane;nitrate?
The IUPAC name of sodium;azane;nitrous acid;sulfane;nitrate (CID 172727872) is sodium;azane;nitrous acid;sulfane;nitrate.
What is the SMILES notation for sodium;azane;nitrous acid;sulfane;nitrate?
The canonical SMILES for sodium;azane;nitrous acid;sulfane;nitrate is N.O=NO.O=[N+]([O-])[O-].S.[Na+].
What is the InChIKey of sodium;azane;nitrous acid;sulfane;nitrate?
The InChIKey is HJTXLVWTKSRLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/NO3.HNO2.H3N.Na.H2S/c2-1(3)4;2-1-3;;;/h;(H,2,3);1H3;;1H2/q-1;;;+1;.
What are the key properties of sodium;azane;nitrous acid;sulfane;nitrate?
sodium;azane;nitrous acid;sulfane;nitrate has a molecular weight of 183.12 g/mol, XLogP of -2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;nitrous acid;sulfane;nitrate is sourced from PubChem (CID 172727872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).