2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline

C22H18N2S2 — CID 13142848

IUPAC2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline
SMILESCc1ccc(Sc2nc3ccccc3nc2Sc2ccc(C)cc2)cc1
InChIInChI=1S/C22H18N2S2/c1-15-7-11-17(12-8-15)25-21-22(26-18-13-9-16(2)10-14-18)24-20-6-4-3-5-19(20)23-21/h3-14H,1-2H3
InChIKeyUFXFRISSIRWPRZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.55
Rot. Bonds4

About 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline

2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline (PubChem CID 13142848) has the molecular formula C22H18N2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline
PubChem CID13142848
Molecular FormulaC22H18N2S2
Molecular Weight374.53 g/mol
Exact Mass374.09
IUPAC Name2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline
SMILESCc1ccc(Sc2nc3ccccc3nc2Sc2ccc(C)cc2)cc1
InChIInChI=1S/C22H18N2S2/c1-15-7-11-17(12-8-15)25-21-22(26-18-13-9-16(2)10-14-18)24-20-6-4-3-5-19(20)23-21/h3-14H,1-2H3
InChIKeyUFXFRISSIRWPRZ-UHFFFAOYSA-N
XLogP6.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline?
The IUPAC name of 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline (CID 13142848) is 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline.
What is the SMILES notation for 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline?
The canonical SMILES for 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline is Cc1ccc(Sc2nc3ccccc3nc2Sc2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline?
The InChIKey is UFXFRISSIRWPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S2/c1-15-7-11-17(12-8-15)25-21-22(26-18-13-9-16(2)10-14-18)24-20-6-4-3-5-19(20)23-21/h3-14H,1-2H3.
What are the key properties of 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline?
2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline has a molecular weight of 374.53 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-methylphenyl)sulfanyl]quinoxaline is sourced from PubChem (CID 13142848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).