(2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite

C5Cl5NS — CID 12538975

IUPAC(2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite
SMILESClSc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C5Cl5NS/c6-1-3(12-10)2(7)5(9)11-4(1)8
InChIKeyUUNHQSUERURDFO-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.94
Rot. Bonds1

About (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite

(2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite (PubChem CID 12538975) has the molecular formula C5Cl5NS and a molecular weight of 283.39 g/mol. Its IUPAC name is (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite.

Molecular Properties

Compound Name(2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite
PubChem CID12538975
Molecular FormulaC5Cl5NS
Molecular Weight283.39 g/mol
Exact Mass280.82
IUPAC Name(2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite
SMILESClSc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIInChI=1S/C5Cl5NS/c6-1-3(12-10)2(7)5(9)11-4(1)8
InChIKeyUUNHQSUERURDFO-UHFFFAOYSA-N
XLogP4.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite?
The IUPAC name of (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite (CID 12538975) is (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite.
What is the SMILES notation for (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite?
The canonical SMILES for (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite is ClSc1c(Cl)c(Cl)nc(Cl)c1Cl.
What is the InChIKey of (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite?
The InChIKey is UUNHQSUERURDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl5NS/c6-1-3(12-10)2(7)5(9)11-4(1)8.
What are the key properties of (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite?
(2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite has a molecular weight of 283.39 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrachloro-4-pyridinyl) thiohypochlorite is sourced from PubChem (CID 12538975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).