6-tert-butylsulfanylquinoxaline

C12H14N2S — CID 89460320

IUPAC6-tert-butylsulfanylquinoxaline
SMILESCC(C)(C)Sc1ccc2nccnc2c1
InChIInChI=1S/C12H14N2S/c1-12(2,3)15-9-4-5-10-11(8-9)14-7-6-13-10/h4-8H,1-3H3
InChIKeyIMYZJXZYMRXOTP-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.52
Rot. Bonds1

About 6-tert-butylsulfanylquinoxaline

6-tert-butylsulfanylquinoxaline (PubChem CID 89460320) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 6-tert-butylsulfanylquinoxaline.

Molecular Properties

Compound Name6-tert-butylsulfanylquinoxaline
PubChem CID89460320
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name6-tert-butylsulfanylquinoxaline
SMILESCC(C)(C)Sc1ccc2nccnc2c1
InChIInChI=1S/C12H14N2S/c1-12(2,3)15-9-4-5-10-11(8-9)14-7-6-13-10/h4-8H,1-3H3
InChIKeyIMYZJXZYMRXOTP-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanylquinoxaline?
The IUPAC name of 6-tert-butylsulfanylquinoxaline (CID 89460320) is 6-tert-butylsulfanylquinoxaline.
What is the SMILES notation for 6-tert-butylsulfanylquinoxaline?
The canonical SMILES for 6-tert-butylsulfanylquinoxaline is CC(C)(C)Sc1ccc2nccnc2c1.
What is the InChIKey of 6-tert-butylsulfanylquinoxaline?
The InChIKey is IMYZJXZYMRXOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-12(2,3)15-9-4-5-10-11(8-9)14-7-6-13-10/h4-8H,1-3H3.
What are the key properties of 6-tert-butylsulfanylquinoxaline?
6-tert-butylsulfanylquinoxaline has a molecular weight of 218.33 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanylquinoxaline is sourced from PubChem (CID 89460320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).