6-chloropyridine-3-thiolate

C5H3ClNS- — CID 6985042

IUPAC6-chloropyridine-3-thiolate
SMILES[S-]c1ccc(Cl)nc1
InChIInChI=1S/C5H4ClNS/c6-5-2-1-4(8)3-7-5/h1-3,8H/p-1
InChIKeyHCDCXEQCZNVOSX-UHFFFAOYSA-M
MW144.61 g/mol
LogP1.64
Rot. Bonds

About 6-chloropyridine-3-thiolate

6-chloropyridine-3-thiolate (PubChem CID 6985042) has the molecular formula C5H3ClNS- and a molecular weight of 144.61 g/mol. Its IUPAC name is 6-chloropyridine-3-thiolate.

Molecular Properties

Compound Name6-chloropyridine-3-thiolate
PubChem CID6985042
Molecular FormulaC5H3ClNS-
Molecular Weight144.61 g/mol
Exact Mass143.97
IUPAC Name6-chloropyridine-3-thiolate
SMILES[S-]c1ccc(Cl)nc1
InChIInChI=1S/C5H4ClNS/c6-5-2-1-4(8)3-7-5/h1-3,8H/p-1
InChIKeyHCDCXEQCZNVOSX-UHFFFAOYSA-M
XLogP1.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.61
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-thiolate?
The IUPAC name of 6-chloropyridine-3-thiolate (CID 6985042) is 6-chloropyridine-3-thiolate.
What is the SMILES notation for 6-chloropyridine-3-thiolate?
The canonical SMILES for 6-chloropyridine-3-thiolate is [S-]c1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-thiolate?
The InChIKey is HCDCXEQCZNVOSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4ClNS/c6-5-2-1-4(8)3-7-5/h1-3,8H/p-1.
What are the key properties of 6-chloropyridine-3-thiolate?
6-chloropyridine-3-thiolate has a molecular weight of 144.61 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-thiolate is sourced from PubChem (CID 6985042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).