2,3-bis(phenylsulfanyl)pyrazine

C16H12N2S2 — CID 86197506

IUPAC2,3-bis(phenylsulfanyl)pyrazine
SMILESc1ccc(Sc2nccnc2Sc2ccccc2)cc1
InChIInChI=1S/C16H12N2S2/c1-3-7-13(8-4-1)19-15-16(18-12-11-17-15)20-14-9-5-2-6-10-14/h1-12H
InChIKeyLCFRUMMLJIDMLJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.78
Rot. Bonds4

About 2,3-bis(phenylsulfanyl)pyrazine

2,3-bis(phenylsulfanyl)pyrazine (PubChem CID 86197506) has the molecular formula C16H12N2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2,3-bis(phenylsulfanyl)pyrazine.

Molecular Properties

Compound Name2,3-bis(phenylsulfanyl)pyrazine
PubChem CID86197506
Molecular FormulaC16H12N2S2
Molecular Weight296.42 g/mol
Exact Mass296.04
IUPAC Name2,3-bis(phenylsulfanyl)pyrazine
SMILESc1ccc(Sc2nccnc2Sc2ccccc2)cc1
InChIInChI=1S/C16H12N2S2/c1-3-7-13(8-4-1)19-15-16(18-12-11-17-15)20-14-9-5-2-6-10-14/h1-12H
InChIKeyLCFRUMMLJIDMLJ-UHFFFAOYSA-N
XLogP4.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-bis(phenylsulfanyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylsulfanylpyrazine-2-carboxylic acid
CID 12556842
N'-hydroxy-3-phenylsulfanylpyrazine-2-carboximidamide
CID 172625571
(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine
CID 103695131
3-amino-2-phenylsulfanylpyridine-4-carbonitrile
CID 82813419
CID 66690055
CID 66690055
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897230
3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide
CID 154800744
5-bromo-2-phenylsulfanylpyridin-3-amine
CID 61228876
1-(4-phenylpiperazin-1-yl)-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylethanone
CID 46392419
N-[(4-ethylphenyl)methyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 50836037
(2-phenylsulfanyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 78774467
2-phenylsulfanyl-1,3-thiazole
CID 606073

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phenylsulfanyl)pyrazine?
The IUPAC name of 2,3-bis(phenylsulfanyl)pyrazine (CID 86197506) is 2,3-bis(phenylsulfanyl)pyrazine.
What is the SMILES notation for 2,3-bis(phenylsulfanyl)pyrazine?
The canonical SMILES for 2,3-bis(phenylsulfanyl)pyrazine is c1ccc(Sc2nccnc2Sc2ccccc2)cc1.
What is the InChIKey of 2,3-bis(phenylsulfanyl)pyrazine?
The InChIKey is LCFRUMMLJIDMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S2/c1-3-7-13(8-4-1)19-15-16(18-12-11-17-15)20-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,3-bis(phenylsulfanyl)pyrazine?
2,3-bis(phenylsulfanyl)pyrazine has a molecular weight of 296.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylsulfanyl)pyrazine is sourced from PubChem (CID 86197506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).