S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine

C5H4BrClN2S — CID 146211561

IUPACS-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine
SMILESNSc1cc(Br)cnc1Cl
InChIInChI=1S/C5H4BrClN2S/c6-3-1-4(10-8)5(7)9-2-3/h1-2H,8H2
InChIKeyGTXRWYGBXKSEHR-UHFFFAOYSA-N
MW239.53 g/mol
LogP2.46
Rot. Bonds1

About S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine

S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine (PubChem CID 146211561) has the molecular formula C5H4BrClN2S and a molecular weight of 239.53 g/mol. Its IUPAC name is S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine
PubChem CID146211561
Molecular FormulaC5H4BrClN2S
Molecular Weight239.53 g/mol
Exact Mass237.90
IUPAC NameS-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine
SMILESNSc1cc(Br)cnc1Cl
InChIInChI=1S/C5H4BrClN2S/c6-3-1-4(10-8)5(7)9-2-3/h1-2H,8H2
InChIKeyGTXRWYGBXKSEHR-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze S-(5-bromo-2-chloro-3-pyridinyl)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 S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine?
The IUPAC name of S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine (CID 146211561) is S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine.
What is the SMILES notation for S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine?
The canonical SMILES for S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine is NSc1cc(Br)cnc1Cl.
What is the InChIKey of S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine?
The InChIKey is GTXRWYGBXKSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2S/c6-3-1-4(10-8)5(7)9-2-3/h1-2H,8H2.
What are the key properties of S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine?
S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine has a molecular weight of 239.53 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine is sourced from PubChem (CID 146211561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).