2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane

C20H30N2S2 — CID 91560240

IUPAC2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
SMILESCC.CC.CC.CSc1nc2cc3ccccc3cc2nc1SC
InChIInChI=1S/C14H12N2S2.3C2H6/c1-17-13-14(18-2)16-12-8-10-6-4-3-5-9(10)7-11(12)15-13;3*1-2/h3-8H,1-2H3;3*1-2H3
InChIKeyBCFCLNRXTXBODV-UHFFFAOYSA-N
MW362.61 g/mol
LogP7.31
Rot. Bonds2

About 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane

2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane (PubChem CID 91560240) has the molecular formula C20H30N2S2 and a molecular weight of 362.61 g/mol. Its IUPAC name is 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane.

Molecular Properties

Compound Name2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
PubChem CID91560240
Molecular FormulaC20H30N2S2
Molecular Weight362.61 g/mol
Exact Mass362.19
IUPAC Name2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
SMILESCC.CC.CC.CSc1nc2cc3ccccc3cc2nc1SC
InChIInChI=1S/C14H12N2S2.3C2H6/c1-17-13-14(18-2)16-12-8-10-6-4-3-5-9(10)7-11(12)15-13;3*1-2/h3-8H,1-2H3;3*1-2H3
InChIKeyBCFCLNRXTXBODV-UHFFFAOYSA-N
XLogP7.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.61
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane?
The IUPAC name of 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane (CID 91560240) is 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane.
What is the SMILES notation for 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane?
The canonical SMILES for 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane is CC.CC.CC.CSc1nc2cc3ccccc3cc2nc1SC.
What is the InChIKey of 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane?
The InChIKey is BCFCLNRXTXBODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2.3C2H6/c1-17-13-14(18-2)16-12-8-10-6-4-3-5-9(10)7-11(12)15-13;3*1-2/h3-8H,1-2H3;3*1-2H3.
What are the key properties of 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane?
2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane has a molecular weight of 362.61 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane is sourced from PubChem (CID 91560240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).