6-iodo-1H-pyridine-2-thione

C5H4INS — CID 138538595

IUPAC6-iodo-1H-pyridine-2-thione
SMILESS=c1cccc(I)[nH]1
InChIInChI=1S/C5H4INS/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
InChIKeyVUAHMAXUJXXRFZ-UHFFFAOYSA-N
MW237.07 g/mol
LogP2.35
Rot. Bonds

About 6-iodo-1H-pyridine-2-thione

6-iodo-1H-pyridine-2-thione (PubChem CID 138538595) has the molecular formula C5H4INS and a molecular weight of 237.07 g/mol. Its IUPAC name is 6-iodo-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-iodo-1H-pyridine-2-thione
PubChem CID138538595
Molecular FormulaC5H4INS
Molecular Weight237.07 g/mol
Exact Mass236.91
IUPAC Name6-iodo-1H-pyridine-2-thione
SMILESS=c1cccc(I)[nH]1
InChIInChI=1S/C5H4INS/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8)
InChIKeyVUAHMAXUJXXRFZ-UHFFFAOYSA-N
XLogP2.35
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-1H-pyridine-2-thione?
The IUPAC name of 6-iodo-1H-pyridine-2-thione (CID 138538595) is 6-iodo-1H-pyridine-2-thione.
What is the SMILES notation for 6-iodo-1H-pyridine-2-thione?
The canonical SMILES for 6-iodo-1H-pyridine-2-thione is S=c1cccc(I)[nH]1.
What is the InChIKey of 6-iodo-1H-pyridine-2-thione?
The InChIKey is VUAHMAXUJXXRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INS/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8).
What are the key properties of 6-iodo-1H-pyridine-2-thione?
6-iodo-1H-pyridine-2-thione has a molecular weight of 237.07 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1H-pyridine-2-thione is sourced from PubChem (CID 138538595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).