2-ethylsulfanyl-3-octylpyrazine

C14H24N2S — CID 528316

IUPAC2-ethylsulfanyl-3-octylpyrazine
SMILESCCCCCCCCc1nccnc1SCC
InChIInChI=1S/C14H24N2S/c1-3-5-6-7-8-9-10-13-14(17-4-2)16-12-11-15-13/h11-12H,3-10H2,1-2H3
InChIKeyWRDNFEOXTKJRGO-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.49
Rot. Bonds9

About 2-ethylsulfanyl-3-octylpyrazine

2-ethylsulfanyl-3-octylpyrazine (PubChem CID 528316) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-octylpyrazine.

Molecular Properties

Compound Name2-ethylsulfanyl-3-octylpyrazine
PubChem CID528316
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-ethylsulfanyl-3-octylpyrazine
SMILESCCCCCCCCc1nccnc1SCC
InChIInChI=1S/C14H24N2S/c1-3-5-6-7-8-9-10-13-14(17-4-2)16-12-11-15-13/h11-12H,3-10H2,1-2H3
InChIKeyWRDNFEOXTKJRGO-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decyl-3-ethylsulfanylpyrazine
CID 528300
2-decyl-3-methoxypyrazine
CID 528301
2-dodecyl-3-ethylpyridine
CID 160514040
2-decyl-3,4-diethylpyridine
CID 150975827
3-decylsulfanylpyrazin-2-amine
CID 106678948
2-octylpyridin-3-amine
CID 23131469
3-octylsulfanylpyrazin-2-amine
CID 106678549
2-hexyl-3-hydroxypyridine-4-carbonitrile
CID 146507438
4,5,6-trioctylpyrimidine
CID 91147699
2-heptyl-1,3,5-triazine;hydrofluoride
CID 174939388
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
3,4-dimethyl-2-pentylpyridine
CID 86118015

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-octylpyrazine?
The IUPAC name of 2-ethylsulfanyl-3-octylpyrazine (CID 528316) is 2-ethylsulfanyl-3-octylpyrazine.
What is the SMILES notation for 2-ethylsulfanyl-3-octylpyrazine?
The canonical SMILES for 2-ethylsulfanyl-3-octylpyrazine is CCCCCCCCc1nccnc1SCC.
What is the InChIKey of 2-ethylsulfanyl-3-octylpyrazine?
The InChIKey is WRDNFEOXTKJRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-5-6-7-8-9-10-13-14(17-4-2)16-12-11-15-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-octylpyrazine?
2-ethylsulfanyl-3-octylpyrazine has a molecular weight of 252.43 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-octylpyrazine is sourced from PubChem (CID 528316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).