hydron;S-sulfanylthiohydroxylamine

H4NS2+ — CID 175241593

IUPAChydron;S-sulfanylthiohydroxylamine
SMILESNSS.[H+]
InChIInChI=1S/H3NS2/c1-3-2/h2H,1H2/p+1
InChIKeyICBAQIKJAZQVFT-UHFFFAOYSA-O
MW82.17 g/mol
LogP0.55
Rot. Bonds

About hydron;S-sulfanylthiohydroxylamine

hydron;S-sulfanylthiohydroxylamine (PubChem CID 175241593) has the molecular formula H4NS2+ and a molecular weight of 82.17 g/mol. Its IUPAC name is hydron;S-sulfanylthiohydroxylamine.

Molecular Properties

Compound Namehydron;S-sulfanylthiohydroxylamine
PubChem CID175241593
Molecular FormulaH4NS2+
Molecular Weight82.17 g/mol
Exact Mass81.98
IUPAC Namehydron;S-sulfanylthiohydroxylamine
SMILESNSS.[H+]
InChIInChI=1S/H3NS2/c1-3-2/h2H,1H2/p+1
InChIKeyICBAQIKJAZQVFT-UHFFFAOYSA-O
XLogP0.55
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.17
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;S-sulfanylthiohydroxylamine?
The IUPAC name of hydron;S-sulfanylthiohydroxylamine (CID 175241593) is hydron;S-sulfanylthiohydroxylamine.
What is the SMILES notation for hydron;S-sulfanylthiohydroxylamine?
The canonical SMILES for hydron;S-sulfanylthiohydroxylamine is NSS.[H+].
What is the InChIKey of hydron;S-sulfanylthiohydroxylamine?
The InChIKey is ICBAQIKJAZQVFT-UHFFFAOYSA-O. The full InChI is InChI=1S/H3NS2/c1-3-2/h2H,1H2/p+1.
What are the key properties of hydron;S-sulfanylthiohydroxylamine?
hydron;S-sulfanylthiohydroxylamine has a molecular weight of 82.17 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;S-sulfanylthiohydroxylamine is sourced from PubChem (CID 175241593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).