5-bromopyridine-2-thiolate

C5H3BrNS- — CID 26338075

IUPAC5-bromopyridine-2-thiolate
SMILES[S-]c1ccc(Br)cn1
InChIInChI=1S/C5H4BrNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)/p-1
InChIKeyJPWXLRZTRDTFMR-UHFFFAOYSA-M
MW189.06 g/mol
LogP1.75
Rot. Bonds

About 5-bromopyridine-2-thiolate

5-bromopyridine-2-thiolate (PubChem CID 26338075) has the molecular formula C5H3BrNS- and a molecular weight of 189.06 g/mol. Its IUPAC name is 5-bromopyridine-2-thiolate.

Molecular Properties

Compound Name5-bromopyridine-2-thiolate
PubChem CID26338075
Molecular FormulaC5H3BrNS-
Molecular Weight189.06 g/mol
Exact Mass187.92
IUPAC Name5-bromopyridine-2-thiolate
SMILES[S-]c1ccc(Br)cn1
InChIInChI=1S/C5H4BrNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)/p-1
InChIKeyJPWXLRZTRDTFMR-UHFFFAOYSA-M
XLogP1.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
5-bromo-2-(5-bromo-2-pyridinyl)pyridine;dichloropalladium
CID 175701869
2,5-dibromopyridine;ethane
CID 90871570
5-bromopyridin-2-amine;hydrochloride
CID 22615197
(5-bromo-2-pyridinyl)-trimethylstannane
CID 11151376
[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
CID 89251860
5-bromopyridine-2-sulfonyl chloride;hydrochloride
CID 46738887
5-bromo-2-(isocyanomethyl)pyridine
CID 58496299
5-bromo-2-methylpyridine;formic acid
CID 174794271
5-bromo-2-(dideuteriomethyl)pyridine
CID 177316753
5-bromo-2-methoxypyridine
CID 2734895
S-(5-bromo-2-pyridinyl)thiohydroxylamine
CID 177140372

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-thiolate?
The IUPAC name of 5-bromopyridine-2-thiolate (CID 26338075) is 5-bromopyridine-2-thiolate.
What is the SMILES notation for 5-bromopyridine-2-thiolate?
The canonical SMILES for 5-bromopyridine-2-thiolate is [S-]c1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridine-2-thiolate?
The InChIKey is JPWXLRZTRDTFMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4BrNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)/p-1.
What are the key properties of 5-bromopyridine-2-thiolate?
5-bromopyridine-2-thiolate has a molecular weight of 189.06 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2-thiolate is sourced from PubChem (CID 26338075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).