[1,4]dithiino[2,3-b]quinoxaline-2,3-dione

C10H4N2O2S2 — CID 1207990

IUPAC[1,4]dithiino[2,3-b]quinoxaline-2,3-dione
SMILESO=c1sc2nc3ccccc3nc2sc1=O
InChIInChI=1S/C10H4N2O2S2/c13-9-10(14)16-8-7(15-9)11-5-3-1-2-4-6(5)12-8/h1-4H
InChIKeyHTXHXTTUFZLBBB-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.63
Rot. Bonds

About [1,4]dithiino[2,3-b]quinoxaline-2,3-dione

[1,4]dithiino[2,3-b]quinoxaline-2,3-dione (PubChem CID 1207990) has the molecular formula C10H4N2O2S2 and a molecular weight of 248.29 g/mol. Its IUPAC name is [1,4]dithiino[2,3-b]quinoxaline-2,3-dione.

Molecular Properties

Compound Name[1,4]dithiino[2,3-b]quinoxaline-2,3-dione
PubChem CID1207990
Molecular FormulaC10H4N2O2S2
Molecular Weight248.29 g/mol
Exact Mass247.97
IUPAC Name[1,4]dithiino[2,3-b]quinoxaline-2,3-dione
SMILESO=c1sc2nc3ccccc3nc2sc1=O
InChIInChI=1S/C10H4N2O2S2/c13-9-10(14)16-8-7(15-9)11-5-3-1-2-4-6(5)12-8/h1-4H
InChIKeyHTXHXTTUFZLBBB-UHFFFAOYSA-N
XLogP1.63
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1,4]dithiino[2,3-b]quinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thioquinox
CID 7159
2-(Quinoxalin-2-ylsulfanyl)acetic acid
CID 736252
2-Chloro-3-methylsulfonylquinoxaline
CID 16731939
2-[3-(2-Amino-2-oxoethyl)sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 612552
2-Phenylsulfanyl-3-(trichloromethyl)quinoxaline
CID 164613939
Acetic acid, (3-methoxycarbonylmethylsulfanylquinoxalin-2-ylsulfanyl)-, methyl ester
CID 946874
3-Chloro-2-(methylthio)quinoxaline
CID 90442310
Carbonic acid, dithiodi-, O,O'-dimethyl S,S'-(2,3-quinoxalinediyl) ester
CID 42812
2-Methyl-3-phenylsulfanylquinoxaline
CID 899293
2-[3-(2-Oxo-2-piperidylethylthio)quinoxalin-2-ylthio]-1-piperidylethan-1-one
CID 1201985
Quinoxaline, 2-methyl-3-(pentylthio)-
CID 3079965
2-Phenylsulfanyl-3-(trifluoromethyl)quinoxaline
CID 164620397

Frequently Asked Questions

What is the IUPAC name of [1,4]dithiino[2,3-b]quinoxaline-2,3-dione?
The IUPAC name of [1,4]dithiino[2,3-b]quinoxaline-2,3-dione (CID 1207990) is [1,4]dithiino[2,3-b]quinoxaline-2,3-dione.
What is the SMILES notation for [1,4]dithiino[2,3-b]quinoxaline-2,3-dione?
The canonical SMILES for [1,4]dithiino[2,3-b]quinoxaline-2,3-dione is O=c1sc2nc3ccccc3nc2sc1=O.
What is the InChIKey of [1,4]dithiino[2,3-b]quinoxaline-2,3-dione?
The InChIKey is HTXHXTTUFZLBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2O2S2/c13-9-10(14)16-8-7(15-9)11-5-3-1-2-4-6(5)12-8/h1-4H.
What are the key properties of [1,4]dithiino[2,3-b]quinoxaline-2,3-dione?
[1,4]dithiino[2,3-b]quinoxaline-2,3-dione has a molecular weight of 248.29 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]dithiino[2,3-b]quinoxaline-2,3-dione is sourced from PubChem (CID 1207990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).