2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol

C17H17NO2S2 — CID 71336174

IUPAC2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol
SMILESOCCSc1cccc2nc3ccccc3c(SCCO)c12
InChIInChI=1S/C17H17NO2S2/c19-8-10-21-15-7-3-6-14-16(15)17(22-11-9-20)12-4-1-2-5-13(12)18-14/h1-7,19-20H,8-11H2
InChIKeyBHRCSAHGCRIEJY-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.56
Rot. Bonds6

About 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol

2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol (PubChem CID 71336174) has the molecular formula C17H17NO2S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol
PubChem CID71336174
Molecular FormulaC17H17NO2S2
Molecular Weight331.46 g/mol
Exact Mass331.07
IUPAC Name2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol
SMILESOCCSc1cccc2nc3ccccc3c(SCCO)c12
InChIInChI=1S/C17H17NO2S2/c19-8-10-21-15-7-3-6-14-16(15)17(22-11-9-20)12-4-1-2-5-13(12)18-14/h1-7,19-20H,8-11H2
InChIKeyBHRCSAHGCRIEJY-UHFFFAOYSA-N
XLogP3.56
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol?
The IUPAC name of 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol (CID 71336174) is 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol.
What is the SMILES notation for 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol?
The canonical SMILES for 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol is OCCSc1cccc2nc3ccccc3c(SCCO)c12.
What is the InChIKey of 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol?
The InChIKey is BHRCSAHGCRIEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S2/c19-8-10-21-15-7-3-6-14-16(15)17(22-11-9-20)12-4-1-2-5-13(12)18-14/h1-7,19-20H,8-11H2.
What are the key properties of 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol?
2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol has a molecular weight of 331.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol is sourced from PubChem (CID 71336174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).