2-benzylsulfanyl-3-(difluoromethyl)pyrazine

C12H10F2N2S — CID 137380292

IUPAC2-benzylsulfanyl-3-(difluoromethyl)pyrazine
SMILESFC(F)c1nccnc1SCc1ccccc1
InChIInChI=1S/C12H10F2N2S/c13-11(14)10-12(16-7-6-15-10)17-8-9-4-2-1-3-5-9/h1-7,11H,8H2
InChIKeyZKRDVDSRLHNZJK-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.71
Rot. Bonds4

About 2-benzylsulfanyl-3-(difluoromethyl)pyrazine

2-benzylsulfanyl-3-(difluoromethyl)pyrazine (PubChem CID 137380292) has the molecular formula C12H10F2N2S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-(difluoromethyl)pyrazine.

Molecular Properties

Compound Name2-benzylsulfanyl-3-(difluoromethyl)pyrazine
PubChem CID137380292
Molecular FormulaC12H10F2N2S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Name2-benzylsulfanyl-3-(difluoromethyl)pyrazine
SMILESFC(F)c1nccnc1SCc1ccccc1
InChIInChI=1S/C12H10F2N2S/c13-11(14)10-12(16-7-6-15-10)17-8-9-4-2-1-3-5-9/h1-7,11H,8H2
InChIKeyZKRDVDSRLHNZJK-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-(difluoromethyl)pyrazine?
The IUPAC name of 2-benzylsulfanyl-3-(difluoromethyl)pyrazine (CID 137380292) is 2-benzylsulfanyl-3-(difluoromethyl)pyrazine.
What is the SMILES notation for 2-benzylsulfanyl-3-(difluoromethyl)pyrazine?
The canonical SMILES for 2-benzylsulfanyl-3-(difluoromethyl)pyrazine is FC(F)c1nccnc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-3-(difluoromethyl)pyrazine?
The InChIKey is ZKRDVDSRLHNZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2S/c13-11(14)10-12(16-7-6-15-10)17-8-9-4-2-1-3-5-9/h1-7,11H,8H2.
What are the key properties of 2-benzylsulfanyl-3-(difluoromethyl)pyrazine?
2-benzylsulfanyl-3-(difluoromethyl)pyrazine has a molecular weight of 252.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3-(difluoromethyl)pyrazine is sourced from PubChem (CID 137380292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).