(5-methylsulfanylpyrazin-2-yl) thiohypofluorite

C5H5FN2S2 — CID 172620328

IUPAC(5-methylsulfanylpyrazin-2-yl) thiohypofluorite
SMILESCSc1cnc(SF)cn1
InChIInChI=1S/C5H5FN2S2/c1-9-4-2-8-5(10-6)3-7-4/h2-3H,1H3
InChIKeyNFHSHJJEMRHQAA-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.18
Rot. Bonds2

About (5-methylsulfanylpyrazin-2-yl) thiohypofluorite

(5-methylsulfanylpyrazin-2-yl) thiohypofluorite (PubChem CID 172620328) has the molecular formula C5H5FN2S2 and a molecular weight of 176.24 g/mol. Its IUPAC name is (5-methylsulfanylpyrazin-2-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-methylsulfanylpyrazin-2-yl) thiohypofluorite
PubChem CID172620328
Molecular FormulaC5H5FN2S2
Molecular Weight176.24 g/mol
Exact Mass175.99
IUPAC Name(5-methylsulfanylpyrazin-2-yl) thiohypofluorite
SMILESCSc1cnc(SF)cn1
InChIInChI=1S/C5H5FN2S2/c1-9-4-2-8-5(10-6)3-7-4/h2-3H,1H3
InChIKeyNFHSHJJEMRHQAA-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Methylthio)pyrazine
CID 519907
Pyrazine, (ethylthio)-
CID 528051
2-Chloro-6-(methylsulfanyl)pyrazine
CID 20361685
Pyrazine, 2-methylsulphinyl-
CID 21783887
Pyrazin-2-yl thiocyanate
CID 817697
2-Bromo-5-(methylsulfanyl)pyrazine
CID 46238455
2,3-Bis(methylthio)pyrazine
CID 54752808
2-Fluoro-3-propylsulfanylpyrazine
CID 85967017
2-(Trifluoromethylsulfanyl)pyrazine
CID 174055396
2-Propylsulfanylpyrazine
CID 12488726
2,5-Bis(methylsulfanyl)pyrazine
CID 15147585
2,3-Bis(tert-butylsulfanyl)pyrazine
CID 71334433

Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanylpyrazin-2-yl) thiohypofluorite?
The IUPAC name of (5-methylsulfanylpyrazin-2-yl) thiohypofluorite (CID 172620328) is (5-methylsulfanylpyrazin-2-yl) thiohypofluorite.
What is the SMILES notation for (5-methylsulfanylpyrazin-2-yl) thiohypofluorite?
The canonical SMILES for (5-methylsulfanylpyrazin-2-yl) thiohypofluorite is CSc1cnc(SF)cn1.
What is the InChIKey of (5-methylsulfanylpyrazin-2-yl) thiohypofluorite?
The InChIKey is NFHSHJJEMRHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2S2/c1-9-4-2-8-5(10-6)3-7-4/h2-3H,1H3.
What are the key properties of (5-methylsulfanylpyrazin-2-yl) thiohypofluorite?
(5-methylsulfanylpyrazin-2-yl) thiohypofluorite has a molecular weight of 176.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanylpyrazin-2-yl) thiohypofluorite is sourced from PubChem (CID 172620328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).