N,N-dichlorothiohydroxylamine

HCl2NS — CID 86007206

IUPACN,N-dichlorothiohydroxylamine
SMILESSN(Cl)Cl
InChIInChI=1S/Cl2HNS/c1-3(2)4/h4H
InChIKeyOVQLOYMGKFRYJP-UHFFFAOYSA-N
MW117.99 g/mol
LogP1.44
Rot. Bonds

About N,N-dichlorothiohydroxylamine

N,N-dichlorothiohydroxylamine (PubChem CID 86007206) has the molecular formula HCl2NS and a molecular weight of 117.99 g/mol. Its IUPAC name is N,N-dichlorothiohydroxylamine.

Molecular Properties

Compound NameN,N-dichlorothiohydroxylamine
PubChem CID86007206
Molecular FormulaHCl2NS
Molecular Weight117.99 g/mol
Exact Mass116.92
IUPAC NameN,N-dichlorothiohydroxylamine
SMILESSN(Cl)Cl
InChIInChI=1S/Cl2HNS/c1-3(2)4/h4H
InChIKeyOVQLOYMGKFRYJP-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.99
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N,N-dichlorothiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dichlorothiohydroxylamine?
The IUPAC name of N,N-dichlorothiohydroxylamine (CID 86007206) is N,N-dichlorothiohydroxylamine.
What is the SMILES notation for N,N-dichlorothiohydroxylamine?
The canonical SMILES for N,N-dichlorothiohydroxylamine is SN(Cl)Cl.
What is the InChIKey of N,N-dichlorothiohydroxylamine?
The InChIKey is OVQLOYMGKFRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2HNS/c1-3(2)4/h4H.
What are the key properties of N,N-dichlorothiohydroxylamine?
N,N-dichlorothiohydroxylamine has a molecular weight of 117.99 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichlorothiohydroxylamine is sourced from PubChem (CID 86007206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).