3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine

C12H11FN2S — CID 901006

IUPAC3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(Sc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2S/c1-8-7-14-9(2)12(15-8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKeyRWJIZYZXMTZOCC-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.38
Rot. Bonds2

About 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine

3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine (PubChem CID 901006) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine
PubChem CID901006
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(Sc2ccc(F)cc2)n1
InChIInChI=1S/C12H11FN2S/c1-8-7-14-9(2)12(15-8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKeyRWJIZYZXMTZOCC-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine (CID 901006) is 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine is Cc1cnc(C)c(Sc2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine?
The InChIKey is RWJIZYZXMTZOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-8-7-14-9(2)12(15-8)16-11-5-3-10(13)4-6-11/h3-7H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine?
3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine has a molecular weight of 234.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-2,5-dimethylpyrazine is sourced from PubChem (CID 901006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).