sulfuryl diazide

N12O4S2 — CID 139136120

IUPACsulfuryl diazide
SMILES[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/2N6O2S/c2*1-3-5-9(7,8)6-4-2
InChIKeyOCBNDLIWANMLRF-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.70
Rot. Bonds4

About sulfuryl diazide

sulfuryl diazide (PubChem CID 139136120) has the molecular formula N12O4S2 and a molecular weight of 296.21 g/mol. Its IUPAC name is sulfuryl diazide.

Molecular Properties

Compound Namesulfuryl diazide
PubChem CID139136120
Molecular FormulaN12O4S2
Molecular Weight296.21 g/mol
Exact Mass295.96
IUPAC Namesulfuryl diazide
SMILES[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/2N6O2S/c2*1-3-5-9(7,8)6-4-2
InChIKeyOCBNDLIWANMLRF-UHFFFAOYSA-N
XLogP1.70
TPSA263.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

azidosulfonyl N-diazosulfamate
CID 19868343
CID 150320751
CID 150320751
CID 150813176
CID 150813176
CID 154227133
CID 154227133
Sulfurazidic acid;sulfuryl diazide
CID 158543020

Frequently Asked Questions

What is the IUPAC name of sulfuryl diazide?
The IUPAC name of sulfuryl diazide (CID 139136120) is sulfuryl diazide.
What is the SMILES notation for sulfuryl diazide?
The canonical SMILES for sulfuryl diazide is [N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].
What is the InChIKey of sulfuryl diazide?
The InChIKey is OCBNDLIWANMLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2N6O2S/c2*1-3-5-9(7,8)6-4-2.
What are the key properties of sulfuryl diazide?
sulfuryl diazide has a molecular weight of 296.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl diazide is sourced from PubChem (CID 139136120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).