acenaphthyleno[1,2-d]imidazole-8-thione

C13H6N2S — CID 162368599

IUPACacenaphthyleno[1,2-d]imidazole-8-thione
SMILESS=C1N=C2C(=N1)c1cccc3cccc2c13
InChIInChI=1S/C13H6N2S/c16-13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15-13/h1-6H
InChIKeyOJGSKVMXFHSUFU-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.73
Rot. Bonds

About acenaphthyleno[1,2-d]imidazole-8-thione

acenaphthyleno[1,2-d]imidazole-8-thione (PubChem CID 162368599) has the molecular formula C13H6N2S and a molecular weight of 222.27 g/mol. Its IUPAC name is acenaphthyleno[1,2-d]imidazole-8-thione.

Molecular Properties

Compound Nameacenaphthyleno[1,2-d]imidazole-8-thione
PubChem CID162368599
Molecular FormulaC13H6N2S
Molecular Weight222.27 g/mol
Exact Mass222.03
IUPAC Nameacenaphthyleno[1,2-d]imidazole-8-thione
SMILESS=C1N=C2C(=N1)c1cccc3cccc2c13
InChIInChI=1S/C13H6N2S/c16-13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15-13/h1-6H
InChIKeyOJGSKVMXFHSUFU-UHFFFAOYSA-N
XLogP2.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acenaphthyleno[1,2-d]imidazole-8-thione?
The IUPAC name of acenaphthyleno[1,2-d]imidazole-8-thione (CID 162368599) is acenaphthyleno[1,2-d]imidazole-8-thione.
What is the SMILES notation for acenaphthyleno[1,2-d]imidazole-8-thione?
The canonical SMILES for acenaphthyleno[1,2-d]imidazole-8-thione is S=C1N=C2C(=N1)c1cccc3cccc2c13.
What is the InChIKey of acenaphthyleno[1,2-d]imidazole-8-thione?
The InChIKey is OJGSKVMXFHSUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N2S/c16-13-14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)15-13/h1-6H.
What are the key properties of acenaphthyleno[1,2-d]imidazole-8-thione?
acenaphthyleno[1,2-d]imidazole-8-thione has a molecular weight of 222.27 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthyleno[1,2-d]imidazole-8-thione is sourced from PubChem (CID 162368599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).