3-chloro-1H-pyridine-2-thione

C5H4ClNS — CID 13476973

IUPAC3-chloro-1H-pyridine-2-thione
SMILESS=c1[nH]cccc1Cl
InChIInChI=1S/C5H4ClNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKeyYZJSKNMPZQWOMW-UHFFFAOYSA-N
MW145.61 g/mol
LogP2.40
Rot. Bonds

About 3-chloro-1H-pyridine-2-thione

3-chloro-1H-pyridine-2-thione (PubChem CID 13476973) has the molecular formula C5H4ClNS and a molecular weight of 145.61 g/mol. Its IUPAC name is 3-chloro-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-chloro-1H-pyridine-2-thione
PubChem CID13476973
Molecular FormulaC5H4ClNS
Molecular Weight145.61 g/mol
Exact Mass144.98
IUPAC Name3-chloro-1H-pyridine-2-thione
SMILESS=c1[nH]cccc1Cl
InChIInChI=1S/C5H4ClNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKeyYZJSKNMPZQWOMW-UHFFFAOYSA-N
XLogP2.40
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.61
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-pyridine-2-thione?
The IUPAC name of 3-chloro-1H-pyridine-2-thione (CID 13476973) is 3-chloro-1H-pyridine-2-thione.
What is the SMILES notation for 3-chloro-1H-pyridine-2-thione?
The canonical SMILES for 3-chloro-1H-pyridine-2-thione is S=c1[nH]cccc1Cl.
What is the InChIKey of 3-chloro-1H-pyridine-2-thione?
The InChIKey is YZJSKNMPZQWOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNS/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8).
What are the key properties of 3-chloro-1H-pyridine-2-thione?
3-chloro-1H-pyridine-2-thione has a molecular weight of 145.61 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-pyridine-2-thione is sourced from PubChem (CID 13476973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).