9-(4-chlorobutylsulfanyl)acridine

C17H16ClNS — CID 11208848

IUPAC9-(4-chlorobutylsulfanyl)acridine
SMILESClCCCCSc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H16ClNS/c18-11-5-6-12-20-17-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)17/h1-4,7-10H,5-6,11-12H2
InChIKeyGFWVJGQSUFTCJQ-UHFFFAOYSA-N
MW301.84 g/mol
LogP5.50
Rot. Bonds5

About 9-(4-chlorobutylsulfanyl)acridine

9-(4-chlorobutylsulfanyl)acridine (PubChem CID 11208848) has the molecular formula C17H16ClNS and a molecular weight of 301.84 g/mol. Its IUPAC name is 9-(4-chlorobutylsulfanyl)acridine.

Molecular Properties

Compound Name9-(4-chlorobutylsulfanyl)acridine
PubChem CID11208848
Molecular FormulaC17H16ClNS
Molecular Weight301.84 g/mol
Exact Mass301.07
IUPAC Name9-(4-chlorobutylsulfanyl)acridine
SMILESClCCCCSc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H16ClNS/c18-11-5-6-12-20-17-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)17/h1-4,7-10H,5-6,11-12H2
InChIKeyGFWVJGQSUFTCJQ-UHFFFAOYSA-N
XLogP5.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.84
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorobutylsulfanyl)acridine?
The IUPAC name of 9-(4-chlorobutylsulfanyl)acridine (CID 11208848) is 9-(4-chlorobutylsulfanyl)acridine.
What is the SMILES notation for 9-(4-chlorobutylsulfanyl)acridine?
The canonical SMILES for 9-(4-chlorobutylsulfanyl)acridine is ClCCCCSc1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-(4-chlorobutylsulfanyl)acridine?
The InChIKey is GFWVJGQSUFTCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNS/c18-11-5-6-12-20-17-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)17/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 9-(4-chlorobutylsulfanyl)acridine?
9-(4-chlorobutylsulfanyl)acridine has a molecular weight of 301.84 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorobutylsulfanyl)acridine is sourced from PubChem (CID 11208848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).