3-phenylsulfanylquinoxaline-2-carbaldehyde

C15H10N2OS — CID 13168589

IUPAC3-phenylsulfanylquinoxaline-2-carbaldehyde
SMILESO=Cc1nc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C15H10N2OS/c18-10-14-15(19-11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)16-14/h1-10H
InChIKeyNKFGRLSFHXHQIS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.59
Rot. Bonds3

About 3-phenylsulfanylquinoxaline-2-carbaldehyde

3-phenylsulfanylquinoxaline-2-carbaldehyde (PubChem CID 13168589) has the molecular formula C15H10N2OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-phenylsulfanylquinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name3-phenylsulfanylquinoxaline-2-carbaldehyde
PubChem CID13168589
Molecular FormulaC15H10N2OS
Molecular Weight266.33 g/mol
Exact Mass266.05
IUPAC Name3-phenylsulfanylquinoxaline-2-carbaldehyde
SMILESO=Cc1nc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C15H10N2OS/c18-10-14-15(19-11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)16-14/h1-10H
InChIKeyNKFGRLSFHXHQIS-UHFFFAOYSA-N
XLogP3.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-Methylquinoxaline-2-carbaldehyde
CID 588800
2-Methyl-3-phenylsulfanylquinoxaline
CID 899293
4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-(phenylamino)-
CID 3073990
4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((2-fluorophenyl)amino)-
CID 3073999
4H-1,3-Thiazino(5,6-b)quinoxalin-4-one, 2-((4-fluorophenyl)amino)-
CID 3074000
2-Phenylsulfanyl-3-(trifluoromethyl)quinoxaline
CID 164620397
2-(4-Fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone
CID 146000101
Ethyl 3-(4-fluorophenyl)sulfanylquinoxaline-2-carboxylate
CID 153528346
3-(4-Fluorophenyl)sulfanylquinoxaline-2-carboxamide
CID 175786325
[1,4]Dithiino[2,3-b]quinoxaline-2,3-dione
CID 1207990
2,3-Bis(phenylsulfanyl)quinoxaline
CID 2823796
1-(3-Methylquinoxalin-2-yl)-2-phenylsulfanyl-ethanone
CID 145999296

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylquinoxaline-2-carbaldehyde?
The IUPAC name of 3-phenylsulfanylquinoxaline-2-carbaldehyde (CID 13168589) is 3-phenylsulfanylquinoxaline-2-carbaldehyde.
What is the SMILES notation for 3-phenylsulfanylquinoxaline-2-carbaldehyde?
The canonical SMILES for 3-phenylsulfanylquinoxaline-2-carbaldehyde is O=Cc1nc2ccccc2nc1Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanylquinoxaline-2-carbaldehyde?
The InChIKey is NKFGRLSFHXHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c18-10-14-15(19-11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)16-14/h1-10H.
What are the key properties of 3-phenylsulfanylquinoxaline-2-carbaldehyde?
3-phenylsulfanylquinoxaline-2-carbaldehyde has a molecular weight of 266.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylquinoxaline-2-carbaldehyde is sourced from PubChem (CID 13168589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).