3,5-dichloro-1H-pyridine-2-thione

C5H3Cl2NS — CID 16779744

IUPAC3,5-dichloro-1H-pyridine-2-thione
SMILESS=c1[nH]cc(Cl)cc1Cl
InChIInChI=1S/C5H3Cl2NS/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyQJISUYXAYWGCGX-UHFFFAOYSA-N
MW180.06 g/mol
LogP3.05
Rot. Bonds

About 3,5-dichloro-1H-pyridine-2-thione

3,5-dichloro-1H-pyridine-2-thione (PubChem CID 16779744) has the molecular formula C5H3Cl2NS and a molecular weight of 180.06 g/mol. Its IUPAC name is 3,5-dichloro-1H-pyridine-2-thione.

Molecular Properties

Compound Name3,5-dichloro-1H-pyridine-2-thione
PubChem CID16779744
Molecular FormulaC5H3Cl2NS
Molecular Weight180.06 g/mol
Exact Mass178.94
IUPAC Name3,5-dichloro-1H-pyridine-2-thione
SMILESS=c1[nH]cc(Cl)cc1Cl
InChIInChI=1S/C5H3Cl2NS/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyQJISUYXAYWGCGX-UHFFFAOYSA-N
XLogP3.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 53.05
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 3,5-dichloro-1H-pyridine-2-thione?
The IUPAC name of 3,5-dichloro-1H-pyridine-2-thione (CID 16779744) is 3,5-dichloro-1H-pyridine-2-thione.
What is the SMILES notation for 3,5-dichloro-1H-pyridine-2-thione?
The canonical SMILES for 3,5-dichloro-1H-pyridine-2-thione is S=c1[nH]cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-1H-pyridine-2-thione?
The InChIKey is QJISUYXAYWGCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NS/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9).
What are the key properties of 3,5-dichloro-1H-pyridine-2-thione?
3,5-dichloro-1H-pyridine-2-thione has a molecular weight of 180.06 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1H-pyridine-2-thione is sourced from PubChem (CID 16779744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).