sodium;hydride;sulfuryl diazide

HN6NaO2S — CID 174415888

IUPACsodium;hydride;sulfuryl diazide
SMILES[H-].[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[Na+]
InChIInChI=1S/N6O2S.Na.H/c1-3-5-9(7,8)6-4-2;;/q;+1;-1
InChIKeyADXTWFTUVWPQCN-UHFFFAOYSA-N
MW172.11 g/mol
LogP-2.03
Rot. Bonds2

About sodium;hydride;sulfuryl diazide

sodium;hydride;sulfuryl diazide (PubChem CID 174415888) has the molecular formula HN6NaO2S and a molecular weight of 172.11 g/mol. Its IUPAC name is sodium;hydride;sulfuryl diazide.

Molecular Properties

Compound Namesodium;hydride;sulfuryl diazide
PubChem CID174415888
Molecular FormulaHN6NaO2S
Molecular Weight172.11 g/mol
Exact Mass171.98
IUPAC Namesodium;hydride;sulfuryl diazide
SMILES[H-].[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[Na+]
InChIInChI=1S/N6O2S.Na.H/c1-3-5-9(7,8)6-4-2;;/q;+1;-1
InChIKeyADXTWFTUVWPQCN-UHFFFAOYSA-N
XLogP-2.03
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfuryl diazide?
The IUPAC name of sodium;hydride;sulfuryl diazide (CID 174415888) is sodium;hydride;sulfuryl diazide.
What is the SMILES notation for sodium;hydride;sulfuryl diazide?
The canonical SMILES for sodium;hydride;sulfuryl diazide is [H-].[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[Na+].
What is the InChIKey of sodium;hydride;sulfuryl diazide?
The InChIKey is ADXTWFTUVWPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/N6O2S.Na.H/c1-3-5-9(7,8)6-4-2;;/q;+1;-1.
What are the key properties of sodium;hydride;sulfuryl diazide?
sodium;hydride;sulfuryl diazide has a molecular weight of 172.11 g/mol, XLogP of -2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfuryl diazide is sourced from PubChem (CID 174415888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).