4-sulfanyl-1H-pyridine-2-thione

C5H5NS2 — CID 54721852

IUPAC4-sulfanyl-1H-pyridine-2-thione
SMILESS=c1cc(S)cc[nH]1
InChIInChI=1S/C5H5NS2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChIKeyKGQJOPJSIZEIDD-UHFFFAOYSA-N
MW143.24 g/mol
LogP2.03
Rot. Bonds

About 4-sulfanyl-1H-pyridine-2-thione

4-sulfanyl-1H-pyridine-2-thione (PubChem CID 54721852) has the molecular formula C5H5NS2 and a molecular weight of 143.24 g/mol. Its IUPAC name is 4-sulfanyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-sulfanyl-1H-pyridine-2-thione
PubChem CID54721852
Molecular FormulaC5H5NS2
Molecular Weight143.24 g/mol
Exact Mass142.99
IUPAC Name4-sulfanyl-1H-pyridine-2-thione
SMILESS=c1cc(S)cc[nH]1
InChIInChI=1S/C5H5NS2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChIKeyKGQJOPJSIZEIDD-UHFFFAOYSA-N
XLogP2.03
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-1H-pyridine-2-thione?
The IUPAC name of 4-sulfanyl-1H-pyridine-2-thione (CID 54721852) is 4-sulfanyl-1H-pyridine-2-thione.
What is the SMILES notation for 4-sulfanyl-1H-pyridine-2-thione?
The canonical SMILES for 4-sulfanyl-1H-pyridine-2-thione is S=c1cc(S)cc[nH]1.
What is the InChIKey of 4-sulfanyl-1H-pyridine-2-thione?
The InChIKey is KGQJOPJSIZEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8).
What are the key properties of 4-sulfanyl-1H-pyridine-2-thione?
4-sulfanyl-1H-pyridine-2-thione has a molecular weight of 143.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-1H-pyridine-2-thione is sourced from PubChem (CID 54721852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).