6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine

C9H10N2S2 — CID 13004229

IUPAC6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine
SMILESCSc1cc(SC)n2ccncc12
InChIInChI=1S/C9H10N2S2/c1-12-8-5-9(13-2)11-4-3-10-6-7(8)11/h3-6H,1-2H3
InChIKeyORTMLXIECFTGNY-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.78
Rot. Bonds2

About 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine

6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine (PubChem CID 13004229) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine
PubChem CID13004229
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine
SMILESCSc1cc(SC)n2ccncc12
InChIInChI=1S/C9H10N2S2/c1-12-8-5-9(13-2)11-4-3-10-6-7(8)11/h3-6H,1-2H3
InChIKeyORTMLXIECFTGNY-UHFFFAOYSA-N
XLogP2.78
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine?
The IUPAC name of 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine (CID 13004229) is 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine is CSc1cc(SC)n2ccncc12.
What is the InChIKey of 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine?
The InChIKey is ORTMLXIECFTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-12-8-5-9(13-2)11-4-3-10-6-7(8)11/h3-6H,1-2H3.
What are the key properties of 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine?
6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine has a molecular weight of 210.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 13004229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).