2-phenylsulfanyl-3-(trifluoromethyl)pyrazine

C11H7F3N2S — CID 10753538

IUPAC2-phenylsulfanyl-3-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1nccnc1Sc1ccccc1
InChIInChI=1S/C11H7F3N2S/c12-11(13,14)9-10(16-7-6-15-9)17-8-4-2-1-3-5-8/h1-7H
InChIKeyTZDMRQKKDAXSFX-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.65
Rot. Bonds2

About 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine

2-phenylsulfanyl-3-(trifluoromethyl)pyrazine (PubChem CID 10753538) has the molecular formula C11H7F3N2S and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-phenylsulfanyl-3-(trifluoromethyl)pyrazine
PubChem CID10753538
Molecular FormulaC11H7F3N2S
Molecular Weight256.25 g/mol
Exact Mass256.03
IUPAC Name2-phenylsulfanyl-3-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1nccnc1Sc1ccccc1
InChIInChI=1S/C11H7F3N2S/c12-11(13,14)9-10(16-7-6-15-9)17-8-4-2-1-3-5-8/h1-7H
InChIKeyTZDMRQKKDAXSFX-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine?
The IUPAC name of 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine (CID 10753538) is 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine is FC(F)(F)c1nccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine?
The InChIKey is TZDMRQKKDAXSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2S/c12-11(13,14)9-10(16-7-6-15-9)17-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine?
2-phenylsulfanyl-3-(trifluoromethyl)pyrazine has a molecular weight of 256.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 10753538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).