2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione

C12H6N2O2S2 — CID 15817926

IUPAC2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2[nH]c(=S)c(=S)[nH]c21
InChIInChI=1S/C12H6N2O2S2/c15-9-5-3-1-2-4-6(5)10(16)8-7(9)13-11(17)12(18)14-8/h1-4H,(H,13,17)(H,14,18)
InChIKeyVWGZLWBDYSLXPP-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.58
Rot. Bonds

About 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione

2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione (PubChem CID 15817926) has the molecular formula C12H6N2O2S2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione.

Molecular Properties

Compound Name2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione
PubChem CID15817926
Molecular FormulaC12H6N2O2S2
Molecular Weight274.33 g/mol
Exact Mass273.99
IUPAC Name2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2[nH]c(=S)c(=S)[nH]c21
InChIInChI=1S/C12H6N2O2S2/c15-9-5-3-1-2-4-6(5)10(16)8-7(9)13-11(17)12(18)14-8/h1-4H,(H,13,17)(H,14,18)
InChIKeyVWGZLWBDYSLXPP-UHFFFAOYSA-N
XLogP2.58
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,4-dihydrobenzo[g]quinoxaline-2,3,5,10-tetrone
CID 121014847
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763
1H-benzo[g]quinazoline-2,4,5,10-tetrone
CID 69220020
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
CID 118898551
CID 118898551
1H-indeno[1,2-b]pyridine-2,5-dione
CID 45098873
3,6-bis(1,3-dioxoinden-2-ylidene)piperazine-2,5-dione
CID 4528472

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione?
The IUPAC name of 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione (CID 15817926) is 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione.
What is the SMILES notation for 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione?
The canonical SMILES for 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione is O=C1c2ccccc2C(=O)c2[nH]c(=S)c(=S)[nH]c21.
What is the InChIKey of 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione?
The InChIKey is VWGZLWBDYSLXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2S2/c15-9-5-3-1-2-4-6(5)10(16)8-7(9)13-11(17)12(18)14-8/h1-4H,(H,13,17)(H,14,18).
What are the key properties of 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione?
2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione has a molecular weight of 274.33 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione is sourced from PubChem (CID 15817926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).