CID 150813177

HN3O4S2 — CID 150813177

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)
InChIKeyVESRDLBWGKJRSK-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.24
Rot. Bonds2

About CID 150813177

CID 150813177 (PubChem CID 150813177) has the molecular formula HN3O4S2 and a molecular weight of 171.16 g/mol.

Molecular Properties

Compound NameCID 150813177
PubChem CID150813177
Molecular FormulaHN3O4S2
Molecular Weight171.16 g/mol
Exact Mass170.94
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)
InChIKeyVESRDLBWGKJRSK-UHFFFAOYSA-N
XLogP-0.24
TPSA120.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
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': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Azidosulfonic acid
CID 18539631
Hydroxyimino-oxido-sulfoazanium
CID 135470160
Disulfoazaniumylideneazanide
CID 18446179
Diazene-1,2-disulfonic acid
CID 71335567
Azidosulfonyl hydrogen sulfate
CID 85960724
(E)-hydroxyimino-oxido-sulfoazanium
CID 135538841
CID 150813176
CID 150813176
Azido(sulfinooxysulfonyl)sulfamic acid
CID 150985828
(E)-hydroxy-hydroxyimino-sulfoazanium
CID 153432659
(Sulfamoyldiazenyl) hydrogen sulfate
CID 154483434
Sulfurazidic acid;sulfuryl diazide
CID 158543020
(Diazo-lambda4-sulfanylidene)-dihydroxy-oxo-lambda6-sulfane
CID 163655637

Frequently Asked Questions

What is the IUPAC name of CID 150813177?
The IUPAC name of CID 150813177 (CID 150813177) is not available.
What is the SMILES notation for CID 150813177?
The canonical SMILES for CID 150813177 is [N-]=[N+]=NS(=O)(=O)S(=O)O.
What is the InChIKey of CID 150813177?
The InChIKey is VESRDLBWGKJRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/HN3O4S2/c1-2-3-9(6,7)8(4)5/h(H,4,5).
What are the key properties of CID 150813177?
CID 150813177 has a molecular weight of 171.16 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150813177 is sourced from PubChem (CID 150813177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).