N-(tritiomethyl)thiohydroxylamine

CH5NS — CID 157084808

IUPACN-(tritiomethyl)thiohydroxylamine
SMILES[3H]CNS
InChIInChI=1S/CH5NS/c1-2-3/h2-3H,1H3/i1T
InChIKeyDJNSXGBGUVWIDF-CNRUNOGKSA-N
MW65.13 g/mol
LogP0.05
Rot. Bonds1

About N-(tritiomethyl)thiohydroxylamine

N-(tritiomethyl)thiohydroxylamine (PubChem CID 157084808) has the molecular formula CH5NS and a molecular weight of 65.13 g/mol. Its IUPAC name is N-(tritiomethyl)thiohydroxylamine.

Molecular Properties

Compound NameN-(tritiomethyl)thiohydroxylamine
PubChem CID157084808
Molecular FormulaCH5NS
Molecular Weight65.13 g/mol
Exact Mass65.02
IUPAC NameN-(tritiomethyl)thiohydroxylamine
SMILES[3H]CNS
InChIInChI=1S/CH5NS/c1-2-3/h2-3H,1H3/i1T
InChIKeyDJNSXGBGUVWIDF-CNRUNOGKSA-N
XLogP0.05
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.13
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(tritiomethyl)thiohydroxylamine 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-(tritiomethyl)thiohydroxylamine?
The IUPAC name of N-(tritiomethyl)thiohydroxylamine (CID 157084808) is N-(tritiomethyl)thiohydroxylamine.
What is the SMILES notation for N-(tritiomethyl)thiohydroxylamine?
The canonical SMILES for N-(tritiomethyl)thiohydroxylamine is [3H]CNS.
What is the InChIKey of N-(tritiomethyl)thiohydroxylamine?
The InChIKey is DJNSXGBGUVWIDF-CNRUNOGKSA-N. The full InChI is InChI=1S/CH5NS/c1-2-3/h2-3H,1H3/i1T.
What are the key properties of N-(tritiomethyl)thiohydroxylamine?
N-(tritiomethyl)thiohydroxylamine has a molecular weight of 65.13 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tritiomethyl)thiohydroxylamine is sourced from PubChem (CID 157084808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).