ethoxyethane;sulfuryl diazide

C4H10N6O3S — CID 174776903

IUPACethoxyethane;sulfuryl diazide
SMILESCCOCC.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C4H10O.N6O2S/c1-3-5-4-2;1-3-5-9(7,8)6-4-2/h3-4H2,1-2H3;
InChIKeyDQGREZOVYZHVGA-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.89
Rot. Bonds4

About ethoxyethane;sulfuryl diazide

ethoxyethane;sulfuryl diazide (PubChem CID 174776903) has the molecular formula C4H10N6O3S and a molecular weight of 222.23 g/mol. Its IUPAC name is ethoxyethane;sulfuryl diazide.

Molecular Properties

Compound Nameethoxyethane;sulfuryl diazide
PubChem CID174776903
Molecular FormulaC4H10N6O3S
Molecular Weight222.23 g/mol
Exact Mass222.05
IUPAC Nameethoxyethane;sulfuryl diazide
SMILESCCOCC.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C4H10O.N6O2S/c1-3-5-4-2;1-3-5-9(7,8)6-4-2/h3-4H2,1-2H3;
InChIKeyDQGREZOVYZHVGA-UHFFFAOYSA-N
XLogP1.89
TPSA140.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethoxyethane;sulfuryl diazide?
The IUPAC name of ethoxyethane;sulfuryl diazide (CID 174776903) is ethoxyethane;sulfuryl diazide.
What is the SMILES notation for ethoxyethane;sulfuryl diazide?
The canonical SMILES for ethoxyethane;sulfuryl diazide is CCOCC.[N-]=[N+]=NS(=O)(=O)N=[N+]=[N-].
What is the InChIKey of ethoxyethane;sulfuryl diazide?
The InChIKey is DQGREZOVYZHVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.N6O2S/c1-3-5-4-2;1-3-5-9(7,8)6-4-2/h3-4H2,1-2H3;.
What are the key properties of ethoxyethane;sulfuryl diazide?
ethoxyethane;sulfuryl diazide has a molecular weight of 222.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;sulfuryl diazide is sourced from PubChem (CID 174776903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).