sulfuryl diazide;hydrochloride

HClN6O2S — CID 86664366

IUPACsulfuryl diazide;hydrochloride
SMILESCl.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/ClH.N6O2S/c;1-3-5-9(7,8)6-4-2/h1H;
InChIKeyWUQCROHHFVTNFE-UHFFFAOYSA-N
MW184.57 g/mol
LogP1.27
Rot. Bonds2

About sulfuryl diazide;hydrochloride

sulfuryl diazide;hydrochloride (PubChem CID 86664366) has the molecular formula HClN6O2S and a molecular weight of 184.57 g/mol. Its IUPAC name is sulfuryl diazide;hydrochloride.

Molecular Properties

Compound Namesulfuryl diazide;hydrochloride
PubChem CID86664366
Molecular FormulaHClN6O2S
Molecular Weight184.57 g/mol
Exact Mass183.96
IUPAC Namesulfuryl diazide;hydrochloride
SMILESCl.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/ClH.N6O2S/c;1-3-5-9(7,8)6-4-2/h1H;
InChIKeyWUQCROHHFVTNFE-UHFFFAOYSA-N
XLogP1.27
TPSA131.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.57
LogP ≤ 51.27
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 sulfuryl diazide;hydrochloride?
The IUPAC name of sulfuryl diazide;hydrochloride (CID 86664366) is sulfuryl diazide;hydrochloride.
What is the SMILES notation for sulfuryl diazide;hydrochloride?
The canonical SMILES for sulfuryl diazide;hydrochloride is Cl.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].
What is the InChIKey of sulfuryl diazide;hydrochloride?
The InChIKey is WUQCROHHFVTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.N6O2S/c;1-3-5-9(7,8)6-4-2/h1H;.
What are the key properties of sulfuryl diazide;hydrochloride?
sulfuryl diazide;hydrochloride has a molecular weight of 184.57 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl diazide;hydrochloride is sourced from PubChem (CID 86664366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).