1,4-dihydroquinoxaline-2,3-dithione

C8H6N2S2 — CID 2735127

IUPAC1,4-dihydroquinoxaline-2,3-dithione
SMILESS=c1[nH]c2ccccc2[nH]c1=S
InChIInChI=1S/C8H6N2S2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
InChIKeyYFBUDXNMBTUSOC-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.95
Rot. Bonds

About 1,4-dihydroquinoxaline-2,3-dithione

1,4-dihydroquinoxaline-2,3-dithione (PubChem CID 2735127) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1,4-dihydroquinoxaline-2,3-dithione.

Molecular Properties

Compound Name1,4-dihydroquinoxaline-2,3-dithione
PubChem CID2735127
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name1,4-dihydroquinoxaline-2,3-dithione
SMILESS=c1[nH]c2ccccc2[nH]c1=S
InChIInChI=1S/C8H6N2S2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
InChIKeyYFBUDXNMBTUSOC-UHFFFAOYSA-N
XLogP2.95
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,4-dihydroquinoxaline-2,3-dithione?
The IUPAC name of 1,4-dihydroquinoxaline-2,3-dithione (CID 2735127) is 1,4-dihydroquinoxaline-2,3-dithione.
What is the SMILES notation for 1,4-dihydroquinoxaline-2,3-dithione?
The canonical SMILES for 1,4-dihydroquinoxaline-2,3-dithione is S=c1[nH]c2ccccc2[nH]c1=S.
What is the InChIKey of 1,4-dihydroquinoxaline-2,3-dithione?
The InChIKey is YFBUDXNMBTUSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12).
What are the key properties of 1,4-dihydroquinoxaline-2,3-dithione?
1,4-dihydroquinoxaline-2,3-dithione has a molecular weight of 194.28 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinoxaline-2,3-dithione is sourced from PubChem (CID 2735127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).