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

C5H5BrN2S — CID 177140372

IUPACS-(5-bromo-2-pyridinyl)thiohydroxylamine
SMILESNSc1ccc(Br)cn1
InChIInChI=1S/C5H5BrN2S/c6-4-1-2-5(9-7)8-3-4/h1-3H,7H2
InChIKeyKRMWNUAULIOXLP-UHFFFAOYSA-N
MW205.08 g/mol
LogP1.81
Rot. Bonds1

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

S-(5-bromo-2-pyridinyl)thiohydroxylamine (PubChem CID 177140372) has the molecular formula C5H5BrN2S and a molecular weight of 205.08 g/mol. Its IUPAC name is S-(5-bromo-2-pyridinyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-bromo-2-pyridinyl)thiohydroxylamine
PubChem CID177140372
Molecular FormulaC5H5BrN2S
Molecular Weight205.08 g/mol
Exact Mass203.94
IUPAC NameS-(5-bromo-2-pyridinyl)thiohydroxylamine
SMILESNSc1ccc(Br)cn1
InChIInChI=1S/C5H5BrN2S/c6-4-1-2-5(9-7)8-3-4/h1-3H,7H2
InChIKeyKRMWNUAULIOXLP-UHFFFAOYSA-N
XLogP1.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(5-bromo-2-pyridinyl)thiohydroxylamine?
The IUPAC name of S-(5-bromo-2-pyridinyl)thiohydroxylamine (CID 177140372) is S-(5-bromo-2-pyridinyl)thiohydroxylamine.
What is the SMILES notation for S-(5-bromo-2-pyridinyl)thiohydroxylamine?
The canonical SMILES for S-(5-bromo-2-pyridinyl)thiohydroxylamine is NSc1ccc(Br)cn1.
What is the InChIKey of S-(5-bromo-2-pyridinyl)thiohydroxylamine?
The InChIKey is KRMWNUAULIOXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2S/c6-4-1-2-5(9-7)8-3-4/h1-3H,7H2.
What are the key properties of S-(5-bromo-2-pyridinyl)thiohydroxylamine?
S-(5-bromo-2-pyridinyl)thiohydroxylamine has a molecular weight of 205.08 g/mol, XLogP of 1.81, 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-pyridinyl)thiohydroxylamine is sourced from PubChem (CID 177140372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).