2-[(3-bromophenyl)methylsulfanyl]quinoxaline

C15H11BrN2S — CID 34905991

IUPAC2-[(3-bromophenyl)methylsulfanyl]quinoxaline
SMILESBrc1cccc(CSc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H11BrN2S/c16-12-5-3-4-11(8-12)10-19-15-9-17-13-6-1-2-7-14(13)18-15/h1-9H,10H2
InChIKeyHVXOFEKOFBABMN-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.68
Rot. Bonds3

About 2-[(3-bromophenyl)methylsulfanyl]quinoxaline

2-[(3-bromophenyl)methylsulfanyl]quinoxaline (PubChem CID 34905991) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]quinoxaline.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]quinoxaline
PubChem CID34905991
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]quinoxaline
SMILESBrc1cccc(CSc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H11BrN2S/c16-12-5-3-4-11(8-12)10-19-15-9-17-13-6-1-2-7-14(13)18-15/h1-9H,10H2
InChIKeyHVXOFEKOFBABMN-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]quinoxaline?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]quinoxaline (CID 34905991) is 2-[(3-bromophenyl)methylsulfanyl]quinoxaline.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]quinoxaline?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]quinoxaline is Brc1cccc(CSc2cnc3ccccc3n2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]quinoxaline?
The InChIKey is HVXOFEKOFBABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-12-5-3-4-11(8-12)10-19-15-9-17-13-6-1-2-7-14(13)18-15/h1-9H,10H2.
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]quinoxaline?
2-[(3-bromophenyl)methylsulfanyl]quinoxaline has a molecular weight of 331.24 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]quinoxaline is sourced from PubChem (CID 34905991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).