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

C9H11ClN2S2 — CID 127047425

IUPAC6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride
SMILESCSc1cc(SC)n2ccncc12.Cl
InChIInChI=1S/C9H10N2S2.ClH/c1-12-8-5-9(13-2)11-4-3-10-6-7(8)11;/h3-6H,1-2H3;1H
InChIKeyTXJJJBSXWOVHSK-UHFFFAOYSA-N
MW246.79 g/mol
LogP3.20
Rot. Bonds2

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

6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride (PubChem CID 127047425) has the molecular formula C9H11ClN2S2 and a molecular weight of 246.79 g/mol. Its IUPAC name is 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride
PubChem CID127047425
Molecular FormulaC9H11ClN2S2
Molecular Weight246.79 g/mol
Exact Mass246.01
IUPAC Name6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride
SMILESCSc1cc(SC)n2ccncc12.Cl
InChIInChI=1S/C9H10N2S2.ClH/c1-12-8-5-9(13-2)11-4-3-10-6-7(8)11;/h3-6H,1-2H3;1H
InChIKeyTXJJJBSXWOVHSK-UHFFFAOYSA-N
XLogP3.20
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.79
LogP ≤ 53.20
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;hydrochloride?
The IUPAC name of 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride (CID 127047425) is 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride.
What is the SMILES notation for 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride?
The canonical SMILES for 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride is CSc1cc(SC)n2ccncc12.Cl.
What is the InChIKey of 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride?
The InChIKey is TXJJJBSXWOVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2.ClH/c1-12-8-5-9(13-2)11-4-3-10-6-7(8)11;/h3-6H,1-2H3;1H.
What are the key properties of 6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride?
6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine;hydrochloride has a molecular weight of 246.79 g/mol, XLogP of 3.20, 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;hydrochloride is sourced from PubChem (CID 127047425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).