bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate

C8H26N4O8S2 — CID 173365079

IUPACbis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate
SMILESCCN(N)CC.CCN(N)CC.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/2C4H12N2.H2O8S2/c2*1-3-6(5)4-2;1-9(2,3)7-8-10(4,5)6/h2*3-5H2,1-2H3;(H,1,2,3)(H,4,5,6)
InChIKeyLEHVSBJPRKSCPU-UHFFFAOYSA-N
MW370.45 g/mol
LogP-1.06
Rot. Bonds7

About bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate

bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate (PubChem CID 173365079) has the molecular formula C8H26N4O8S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate.

Molecular Properties

Compound Namebis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate
PubChem CID173365079
Molecular FormulaC8H26N4O8S2
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Namebis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate
SMILESCCN(N)CC.CCN(N)CC.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/2C4H12N2.H2O8S2/c2*1-3-6(5)4-2;1-9(2,3)7-8-10(4,5)6/h2*3-5H2,1-2H3;(H,1,2,3)(H,4,5,6)
InChIKeyLEHVSBJPRKSCPU-UHFFFAOYSA-N
XLogP-1.06
TPSA185.72 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
sulfooxy hydrogen sulfate
CID 24413
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
azane;sulfooxy hydrogen sulfate;thiourea
CID 175196576
azane;ethyl prop-2-enoate;sulfooxy hydrogen sulfate
CID 174828535
acetonitrile;azane;sulfooxy hydrogen sulfate
CID 174690756
1,1-diethylhydrazine;ethene
CID 87605670
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
azane;2-sulfanylacetic acid;sulfooxy hydrogen sulfate
CID 174592442
azane;ethanamine;sulfuric acid
CID 173214245

Frequently Asked Questions

What is the IUPAC name of bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate?
The IUPAC name of bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate (CID 173365079) is bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate.
What is the SMILES notation for bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate?
The canonical SMILES for bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate is CCN(N)CC.CCN(N)CC.O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate?
The InChIKey is LEHVSBJPRKSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H12N2.H2O8S2/c2*1-3-6(5)4-2;1-9(2,3)7-8-10(4,5)6/h2*3-5H2,1-2H3;(H,1,2,3)(H,4,5,6).
What are the key properties of bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate?
bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate has a molecular weight of 370.45 g/mol, XLogP of -1.06, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1-diethylhydrazine);sulfooxy hydrogen sulfate is sourced from PubChem (CID 173365079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).