CID 150813176

N3O4S2- — CID 150813176

IUPAC—
SMILES[N-]=[N+]=NS(=O)(=O)S(=O)[O-]
InChIInChI=1S/HN3O4S2/c1-2-3-9(6,7)8(4)5/h(H,4,5)/p-1
InChIKeyVESRDLBWGKJRSK-UHFFFAOYSA-M
MW170.15 g/mol
LogP-0.58
Rot. Bonds2

About CID 150813176

CID 150813176 (PubChem CID 150813176) has the molecular formula N3O4S2- and a molecular weight of 170.15 g/mol.

Molecular Properties

Compound NameCID 150813176
PubChem CID150813176
Molecular FormulaN3O4S2-
Molecular Weight170.15 g/mol
Exact Mass169.93
IUPAC Name—
SMILES[N-]=[N+]=NS(=O)(=O)S(=O)[O-]
InChIInChI=1S/HN3O4S2/c1-2-3-9(6,7)8(4)5/h(H,4,5)/p-1
InChIKeyVESRDLBWGKJRSK-UHFFFAOYSA-M
XLogP-0.58
TPSA123.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 5-0.58
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': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 139136120
CID 139136120
Disulfoazaniumylideneazanide
CID 18446179
azidosulfonyl N-diazosulfamate
CID 19868343
CID 22569114
CID 22569114
Diazene-1,2-disulfonic acid
CID 71335567
Potassium azidosulfonyl sulfate
CID 85960723
Azidosulfonyl hydrogen sulfate
CID 85960724
dipotassium;N-sulfonatoiminosulfamate
CID 101086045
CID 150320751
CID 150320751
CID 154227133
CID 154227133
CID 173435049
CID 173435049
sulfamoyl N-iminosulfamate
CID 173509074

Frequently Asked Questions

What is the IUPAC name of CID 150813176?
The IUPAC name of CID 150813176 (CID 150813176) is not available.
What is the SMILES notation for CID 150813176?
The canonical SMILES for CID 150813176 is [N-]=[N+]=NS(=O)(=O)S(=O)[O-].
What is the InChIKey of CID 150813176?
The InChIKey is VESRDLBWGKJRSK-UHFFFAOYSA-M. The full InChI is InChI=1S/HN3O4S2/c1-2-3-9(6,7)8(4)5/h(H,4,5)/p-1.
What are the key properties of CID 150813176?
CID 150813176 has a molecular weight of 170.15 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150813176 is sourced from PubChem (CID 150813176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).