4-quinoxalin-2-yl-1,3-dithiolane-2-thione

C11H8N2S3 — CID 14016550

IUPAC4-quinoxalin-2-yl-1,3-dithiolane-2-thione
SMILESS=C1SCC(c2cnc3ccccc3n2)S1
InChIInChI=1S/C11H8N2S3/c14-11-15-6-10(16-11)9-5-12-7-3-1-2-4-8(7)13-9/h1-5,10H,6H2
InChIKeyJLSGBMQYQYOLRH-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.44
Rot. Bonds1

About 4-quinoxalin-2-yl-1,3-dithiolane-2-thione

4-quinoxalin-2-yl-1,3-dithiolane-2-thione (PubChem CID 14016550) has the molecular formula C11H8N2S3 and a molecular weight of 264.40 g/mol. Its IUPAC name is 4-quinoxalin-2-yl-1,3-dithiolane-2-thione.

Molecular Properties

Compound Name4-quinoxalin-2-yl-1,3-dithiolane-2-thione
PubChem CID14016550
Molecular FormulaC11H8N2S3
Molecular Weight264.40 g/mol
Exact Mass263.98
IUPAC Name4-quinoxalin-2-yl-1,3-dithiolane-2-thione
SMILESS=C1SCC(c2cnc3ccccc3n2)S1
InChIInChI=1S/C11H8N2S3/c14-11-15-6-10(16-11)9-5-12-7-3-1-2-4-8(7)13-9/h1-5,10H,6H2
InChIKeyJLSGBMQYQYOLRH-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxolan-4-yl)quinoxaline
CID 13494441
bis(2-methylquinoxaline);hydrate
CID 118096878
ethane;2-methylquinoxaline
CID 90767427
hydron;phenazine
CID 175446889
CID 88913467
CID 88913467
2-methyl-3-quinoxalin-2-ylquinoxaline
CID 171905215
2-(1,2-dihydroquinoxalin-2-yl)quinoxaline
CID 71080279
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762
azane;quinoxalin-2-amine
CID 172829613
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
1-quinoxalin-2-yl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 3986900
3-quinoxalin-2-yl-1H-quinoxaline-2-thione
CID 14881081

Frequently Asked Questions

What is the IUPAC name of 4-quinoxalin-2-yl-1,3-dithiolane-2-thione?
The IUPAC name of 4-quinoxalin-2-yl-1,3-dithiolane-2-thione (CID 14016550) is 4-quinoxalin-2-yl-1,3-dithiolane-2-thione.
What is the SMILES notation for 4-quinoxalin-2-yl-1,3-dithiolane-2-thione?
The canonical SMILES for 4-quinoxalin-2-yl-1,3-dithiolane-2-thione is S=C1SCC(c2cnc3ccccc3n2)S1.
What is the InChIKey of 4-quinoxalin-2-yl-1,3-dithiolane-2-thione?
The InChIKey is JLSGBMQYQYOLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S3/c14-11-15-6-10(16-11)9-5-12-7-3-1-2-4-8(7)13-9/h1-5,10H,6H2.
What are the key properties of 4-quinoxalin-2-yl-1,3-dithiolane-2-thione?
4-quinoxalin-2-yl-1,3-dithiolane-2-thione has a molecular weight of 264.40 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinoxalin-2-yl-1,3-dithiolane-2-thione is sourced from PubChem (CID 14016550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).