acridine;sulfane

C13H11NS — CID 159134653

IUPACacridine;sulfane
SMILESS.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.H2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H2
InChIKeyMQPYDIWWMSVMFW-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.50
Rot. Bonds

About acridine;sulfane

acridine;sulfane (PubChem CID 159134653) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is acridine;sulfane.

Molecular Properties

Compound Nameacridine;sulfane
PubChem CID159134653
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Nameacridine;sulfane
SMILESS.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.H2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H2
InChIKeyMQPYDIWWMSVMFW-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acridine
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acridine;methane
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acridine;dihydrate
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acridine;ethane
CID 123684759
benzo[b]acridine
CID 6451416
acridine;acridine-3,6-diamine
CID 21276006
acridine;heptane
CID 158562494
CID 88620951
CID 88620951
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CID 69479066
N,N-dimethylacridin-3-amine
CID 15294363

Frequently Asked Questions

What is the IUPAC name of acridine;sulfane?
The IUPAC name of acridine;sulfane (CID 159134653) is acridine;sulfane.
What is the SMILES notation for acridine;sulfane?
The canonical SMILES for acridine;sulfane is S.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;sulfane?
The InChIKey is MQPYDIWWMSVMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.H2S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H2.
What are the key properties of acridine;sulfane?
acridine;sulfane has a molecular weight of 213.31 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;sulfane is sourced from PubChem (CID 159134653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).