CID 173362215

H3N6O4S- — CID 173362215

IUPAC—
SMILESO=S(=O)(O)O.[N-]=[N+]=N.[N-]=[N+]=[N-]
InChIInChI=1S/HN3.N3.H2O4S/c2*1-3-2;1-5(2,3)4/h1H;;(H2,1,2,3,4)/q;-1;
InChIKeyQQCKJNYOONQUOL-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.09
Rot. Bonds

About CID 173362215

CID 173362215 (PubChem CID 173362215) has the molecular formula H3N6O4S- and a molecular weight of 183.13 g/mol.

Molecular Properties

Compound NameCID 173362215
PubChem CID173362215
Molecular FormulaH3N6O4S-
Molecular Weight183.13 g/mol
Exact Mass182.99
IUPAC Name—
SMILESO=S(=O)(O)O.[N-]=[N+]=N.[N-]=[N+]=[N-]
InChIInChI=1S/HN3.N3.H2O4S/c2*1-3-2;1-5(2,3)4/h1H;;(H2,1,2,3,4)/q;-1;
InChIKeyQQCKJNYOONQUOL-UHFFFAOYSA-N
XLogP1.09
TPSA193.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.09
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-(iminohydrazinylidene)sulfamic acid
CID 140590378
Azidosulfamic acid
CID 148242502
CID 154354443
CID 154354443
CID 172681199
CID 172681199
Sulfuric acid diazide
CID 172805549
CID 173322733
CID 173322733
(Iminohydrazinylidene)sulfamic acid
CID 173464633
Imino(sulfooxyimino)azanium
CID 173131438

Frequently Asked Questions

What is the IUPAC name of CID 173362215?
The IUPAC name of CID 173362215 (CID 173362215) is not available.
What is the SMILES notation for CID 173362215?
The canonical SMILES for CID 173362215 is O=S(=O)(O)O.[N-]=[N+]=N.[N-]=[N+]=[N-].
What is the InChIKey of CID 173362215?
The InChIKey is QQCKJNYOONQUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3.N3.H2O4S/c2*1-3-2;1-5(2,3)4/h1H;;(H2,1,2,3,4)/q;-1;.
What are the key properties of CID 173362215?
CID 173362215 has a molecular weight of 183.13 g/mol, XLogP of 1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173362215 is sourced from PubChem (CID 173362215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).