5-naphthalen-1-ylpentyl thiohypochlorite

C15H17ClS — CID 139608477

IUPAC5-naphthalen-1-ylpentyl thiohypochlorite
SMILESClSCCCCCc1cccc2ccccc12
InChIInChI=1S/C15H17ClS/c16-17-12-5-1-2-7-13-9-6-10-14-8-3-4-11-15(13)14/h3-4,6,8-11H,1-2,5,7,12H2
InChIKeyYJLRLLKJVALWJK-UHFFFAOYSA-N
MW264.82 g/mol
LogP5.44
Rot. Bonds6

About 5-naphthalen-1-ylpentyl thiohypochlorite

5-naphthalen-1-ylpentyl thiohypochlorite (PubChem CID 139608477) has the molecular formula C15H17ClS and a molecular weight of 264.82 g/mol. Its IUPAC name is 5-naphthalen-1-ylpentyl thiohypochlorite.

Molecular Properties

Compound Name5-naphthalen-1-ylpentyl thiohypochlorite
PubChem CID139608477
Molecular FormulaC15H17ClS
Molecular Weight264.82 g/mol
Exact Mass264.07
IUPAC Name5-naphthalen-1-ylpentyl thiohypochlorite
SMILESClSCCCCCc1cccc2ccccc12
InChIInChI=1S/C15H17ClS/c16-17-12-5-1-2-7-13-9-6-10-14-8-3-4-11-15(13)14/h3-4,6,8-11H,1-2,5,7,12H2
InChIKeyYJLRLLKJVALWJK-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.82
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-ylpentyl thiohypochlorite?
The IUPAC name of 5-naphthalen-1-ylpentyl thiohypochlorite (CID 139608477) is 5-naphthalen-1-ylpentyl thiohypochlorite.
What is the SMILES notation for 5-naphthalen-1-ylpentyl thiohypochlorite?
The canonical SMILES for 5-naphthalen-1-ylpentyl thiohypochlorite is ClSCCCCCc1cccc2ccccc12.
What is the InChIKey of 5-naphthalen-1-ylpentyl thiohypochlorite?
The InChIKey is YJLRLLKJVALWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClS/c16-17-12-5-1-2-7-13-9-6-10-14-8-3-4-11-15(13)14/h3-4,6,8-11H,1-2,5,7,12H2.
What are the key properties of 5-naphthalen-1-ylpentyl thiohypochlorite?
5-naphthalen-1-ylpentyl thiohypochlorite has a molecular weight of 264.82 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-ylpentyl thiohypochlorite is sourced from PubChem (CID 139608477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).