2,3-bis(methylsulfanyl)pyrazine

C6H8N2S2 — CID 54752808

IUPAC2,3-bis(methylsulfanyl)pyrazine
SMILESCSc1nccnc1SC
InChIInChI=1S/C6H8N2S2/c1-9-5-6(10-2)8-4-3-7-5/h3-4H,1-2H3
InChIKeyLNNIJHVMIXMNSU-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.92
Rot. Bonds2

About 2,3-bis(methylsulfanyl)pyrazine

2,3-bis(methylsulfanyl)pyrazine (PubChem CID 54752808) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2,3-bis(methylsulfanyl)pyrazine.

Molecular Properties

Compound Name2,3-bis(methylsulfanyl)pyrazine
PubChem CID54752808
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2,3-bis(methylsulfanyl)pyrazine
SMILESCSc1nccnc1SC
InChIInChI=1S/C6H8N2S2/c1-9-5-6(10-2)8-4-3-7-5/h3-4H,1-2H3
InChIKeyLNNIJHVMIXMNSU-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Methylthio)pyrazine
CID 519907
2-(2-Propen-1-ylthio)pyrazine
CID 3025899
Pyrazine, (ethylthio)-
CID 528051
2-(Methylsulfonyl)pyrazine
CID 292489
2-Chloro-6-(methylsulfanyl)pyrazine
CID 20361685
Pyrazine, 2-methylsulphinyl-
CID 21783887
Pyrazin-2-yl thiocyanate
CID 817697
2-Bromo-5-(methylsulfanyl)pyrazine
CID 46238455
2-Fluoro-3-propylsulfanylpyrazine
CID 85967017
(5-Methylsulfanylpyrazin-2-yl) thiohypofluorite
CID 172620328
2-(Trifluoromethylsulfanyl)pyrazine
CID 174055396
2-Propylsulfanylpyrazine
CID 12488726

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylsulfanyl)pyrazine?
The IUPAC name of 2,3-bis(methylsulfanyl)pyrazine (CID 54752808) is 2,3-bis(methylsulfanyl)pyrazine.
What is the SMILES notation for 2,3-bis(methylsulfanyl)pyrazine?
The canonical SMILES for 2,3-bis(methylsulfanyl)pyrazine is CSc1nccnc1SC.
What is the InChIKey of 2,3-bis(methylsulfanyl)pyrazine?
The InChIKey is LNNIJHVMIXMNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-9-5-6(10-2)8-4-3-7-5/h3-4H,1-2H3.
What are the key properties of 2,3-bis(methylsulfanyl)pyrazine?
2,3-bis(methylsulfanyl)pyrazine has a molecular weight of 172.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylsulfanyl)pyrazine is sourced from PubChem (CID 54752808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).