2-(methylsulfanylmethylsulfanyl)pyrazine

C6H8N2S2 — CID 131046280

IUPAC2-(methylsulfanylmethylsulfanyl)pyrazine
SMILESCSCSc1cnccn1
InChIInChI=1S/C6H8N2S2/c1-9-5-10-6-4-7-2-3-8-6/h2-4H,5H2,1H3
InChIKeyWDZIAGSCBPYPEA-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.89
Rot. Bonds3

About 2-(methylsulfanylmethylsulfanyl)pyrazine

2-(methylsulfanylmethylsulfanyl)pyrazine (PubChem CID 131046280) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-(methylsulfanylmethylsulfanyl)pyrazine.

Molecular Properties

Compound Name2-(methylsulfanylmethylsulfanyl)pyrazine
PubChem CID131046280
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-(methylsulfanylmethylsulfanyl)pyrazine
SMILESCSCSc1cnccn1
InChIInChI=1S/C6H8N2S2/c1-9-5-10-6-4-7-2-3-8-6/h2-4H,5H2,1H3
InChIKeyWDZIAGSCBPYPEA-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethylsulfanyl)pyrazine?
The IUPAC name of 2-(methylsulfanylmethylsulfanyl)pyrazine (CID 131046280) is 2-(methylsulfanylmethylsulfanyl)pyrazine.
What is the SMILES notation for 2-(methylsulfanylmethylsulfanyl)pyrazine?
The canonical SMILES for 2-(methylsulfanylmethylsulfanyl)pyrazine is CSCSc1cnccn1.
What is the InChIKey of 2-(methylsulfanylmethylsulfanyl)pyrazine?
The InChIKey is WDZIAGSCBPYPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-9-5-10-6-4-7-2-3-8-6/h2-4H,5H2,1H3.
What are the key properties of 2-(methylsulfanylmethylsulfanyl)pyrazine?
2-(methylsulfanylmethylsulfanyl)pyrazine has a molecular weight of 172.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethylsulfanyl)pyrazine is sourced from PubChem (CID 131046280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).