2-[(4-chlorophenyl)methylsulfanyl]quinoxaline

C15H11ClN2S — CID 5160586

IUPAC2-[(4-chlorophenyl)methylsulfanyl]quinoxaline
SMILESClc1ccc(CSc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H11ClN2S/c16-12-7-5-11(6-8-12)10-19-15-9-17-13-3-1-2-4-14(13)18-15/h1-9H,10H2
InChIKeyJVIQCSSJYPDJDJ-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.58
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline

2-[(4-chlorophenyl)methylsulfanyl]quinoxaline (PubChem CID 5160586) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]quinoxaline
PubChem CID5160586
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]quinoxaline
SMILESClc1ccc(CSc2cnc3ccccc3n2)cc1
InChIInChI=1S/C15H11ClN2S/c16-12-7-5-11(6-8-12)10-19-15-9-17-13-3-1-2-4-14(13)18-15/h1-9H,10H2
InChIKeyJVIQCSSJYPDJDJ-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5714039
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CID 754124
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CID 3585815
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CID 5100142
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CID 1480425
CID 1480425
CID 3393241
CID 3393241
CID 3720993
CID 3720993
CID 3740927
CID 3740927
CID 5714040
CID 5714040
CID 16030549
CID 16030549
CID 3768155
CID 3768155
CID 8087318
CID 8087318

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline (CID 5160586) is 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline is Clc1ccc(CSc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline?
The InChIKey is JVIQCSSJYPDJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c16-12-7-5-11(6-8-12)10-19-15-9-17-13-3-1-2-4-14(13)18-15/h1-9H,10H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline?
2-[(4-chlorophenyl)methylsulfanyl]quinoxaline has a molecular weight of 286.79 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]quinoxaline is sourced from PubChem (CID 5160586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).