2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite

C6H10ClNS — CID 166785696

IUPAC2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite
SMILESClSN1CC2CCC1C2
InChIInChI=1S/C6H10ClNS/c7-9-8-4-5-1-2-6(8)3-5/h5-6H,1-4H2
InChIKeyASWWNBCYITUJKC-UHFFFAOYSA-N
MW163.67 g/mol
LogP2.27
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite

2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite (PubChem CID 166785696) has the molecular formula C6H10ClNS and a molecular weight of 163.67 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite
PubChem CID166785696
Molecular FormulaC6H10ClNS
Molecular Weight163.67 g/mol
Exact Mass163.02
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite
SMILESClSN1CC2CCC1C2
InChIInChI=1S/C6H10ClNS/c7-9-8-4-5-1-2-6(8)3-5/h5-6H,1-4H2
InChIKeyASWWNBCYITUJKC-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.67
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite (CID 166785696) is 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite is ClSN1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite?
The InChIKey is ASWWNBCYITUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNS/c7-9-8-4-5-1-2-6(8)3-5/h5-6H,1-4H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite?
2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite has a molecular weight of 163.67 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl thiohypochlorite is sourced from PubChem (CID 166785696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).