ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline

C15H24N2S2 — CID 145314950

IUPACethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline
SMILESCC.CC.CSc1nc2ccc(C)cc2nc1SC
InChIInChI=1S/C11H12N2S2.2C2H6/c1-7-4-5-8-9(6-7)13-11(15-3)10(12-8)14-2;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyDWHKPLRYGFJDID-UHFFFAOYSA-N
MW296.51 g/mol
LogP5.43
Rot. Bonds2

About ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline

ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline (PubChem CID 145314950) has the molecular formula C15H24N2S2 and a molecular weight of 296.51 g/mol. Its IUPAC name is ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline.

Molecular Properties

Compound Nameethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline
PubChem CID145314950
Molecular FormulaC15H24N2S2
Molecular Weight296.51 g/mol
Exact Mass296.14
IUPAC Nameethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline
SMILESCC.CC.CSc1nc2ccc(C)cc2nc1SC
InChIInChI=1S/C11H12N2S2.2C2H6/c1-7-4-5-8-9(6-7)13-11(15-3)10(12-8)14-2;2*1-2/h4-6H,1-3H3;2*1-2H3
InChIKeyDWHKPLRYGFJDID-UHFFFAOYSA-N
XLogP5.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.51
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline?
The IUPAC name of ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline (CID 145314950) is ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline.
What is the SMILES notation for ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline?
The canonical SMILES for ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline is CC.CC.CSc1nc2ccc(C)cc2nc1SC.
What is the InChIKey of ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline?
The InChIKey is DWHKPLRYGFJDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2.2C2H6/c1-7-4-5-8-9(6-7)13-11(15-3)10(12-8)14-2;2*1-2/h4-6H,1-3H3;2*1-2H3.
What are the key properties of ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline?
ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline has a molecular weight of 296.51 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,3-bis(methylsulfanyl)quinoxaline is sourced from PubChem (CID 145314950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).