2,5-bis(propan-2-ylsulfanyl)pyrazine

C10H16N2S2 — CID 129143263

IUPAC2,5-bis(propan-2-ylsulfanyl)pyrazine
SMILESCC(C)Sc1cnc(SC(C)C)cn1
InChIInChI=1S/C10H16N2S2/c1-7(2)13-9-5-12-10(6-11-9)14-8(3)4/h5-8H,1-4H3
InChIKeyJOSCMXRRWWHKOS-UHFFFAOYSA-N
MW228.39 g/mol
LogP3.48
Rot. Bonds4

About 2,5-bis(propan-2-ylsulfanyl)pyrazine

2,5-bis(propan-2-ylsulfanyl)pyrazine (PubChem CID 129143263) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 2,5-bis(propan-2-ylsulfanyl)pyrazine.

Molecular Properties

Compound Name2,5-bis(propan-2-ylsulfanyl)pyrazine
PubChem CID129143263
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name2,5-bis(propan-2-ylsulfanyl)pyrazine
SMILESCC(C)Sc1cnc(SC(C)C)cn1
InChIInChI=1S/C10H16N2S2/c1-7(2)13-9-5-12-10(6-11-9)14-8(3)4/h5-8H,1-4H3
InChIKeyJOSCMXRRWWHKOS-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(propan-2-ylsulfanyl)pyrazine?
The IUPAC name of 2,5-bis(propan-2-ylsulfanyl)pyrazine (CID 129143263) is 2,5-bis(propan-2-ylsulfanyl)pyrazine.
What is the SMILES notation for 2,5-bis(propan-2-ylsulfanyl)pyrazine?
The canonical SMILES for 2,5-bis(propan-2-ylsulfanyl)pyrazine is CC(C)Sc1cnc(SC(C)C)cn1.
What is the InChIKey of 2,5-bis(propan-2-ylsulfanyl)pyrazine?
The InChIKey is JOSCMXRRWWHKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7(2)13-9-5-12-10(6-11-9)14-8(3)4/h5-8H,1-4H3.
What are the key properties of 2,5-bis(propan-2-ylsulfanyl)pyrazine?
2,5-bis(propan-2-ylsulfanyl)pyrazine has a molecular weight of 228.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(propan-2-ylsulfanyl)pyrazine is sourced from PubChem (CID 129143263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).