2,9-bis(ethylsulfanyl)acridine

C17H17NS2 — CID 13048101

IUPAC2,9-bis(ethylsulfanyl)acridine
SMILESCCSc1ccc2nc3ccccc3c(SCC)c2c1
InChIInChI=1S/C17H17NS2/c1-3-19-12-9-10-16-14(11-12)17(20-4-2)13-7-5-6-8-15(13)18-16/h5-11H,3-4H2,1-2H3
InChIKeyHWBMSIRMRAYHJA-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.61
Rot. Bonds4

About 2,9-bis(ethylsulfanyl)acridine

2,9-bis(ethylsulfanyl)acridine (PubChem CID 13048101) has the molecular formula C17H17NS2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2,9-bis(ethylsulfanyl)acridine.

Molecular Properties

Compound Name2,9-bis(ethylsulfanyl)acridine
PubChem CID13048101
Molecular FormulaC17H17NS2
Molecular Weight299.46 g/mol
Exact Mass299.08
IUPAC Name2,9-bis(ethylsulfanyl)acridine
SMILESCCSc1ccc2nc3ccccc3c(SCC)c2c1
InChIInChI=1S/C17H17NS2/c1-3-19-12-9-10-16-14(11-12)17(20-4-2)13-7-5-6-8-15(13)18-16/h5-11H,3-4H2,1-2H3
InChIKeyHWBMSIRMRAYHJA-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,9-bis(ethylsulfanyl)acridine?
The IUPAC name of 2,9-bis(ethylsulfanyl)acridine (CID 13048101) is 2,9-bis(ethylsulfanyl)acridine.
What is the SMILES notation for 2,9-bis(ethylsulfanyl)acridine?
The canonical SMILES for 2,9-bis(ethylsulfanyl)acridine is CCSc1ccc2nc3ccccc3c(SCC)c2c1.
What is the InChIKey of 2,9-bis(ethylsulfanyl)acridine?
The InChIKey is HWBMSIRMRAYHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS2/c1-3-19-12-9-10-16-14(11-12)17(20-4-2)13-7-5-6-8-15(13)18-16/h5-11H,3-4H2,1-2H3.
What are the key properties of 2,9-bis(ethylsulfanyl)acridine?
2,9-bis(ethylsulfanyl)acridine has a molecular weight of 299.46 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(ethylsulfanyl)acridine is sourced from PubChem (CID 13048101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).