8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine

C11H12N2S2 — CID 164905112

IUPAC8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine
SMILESCSc1cc2nccc(C)c2nc1SC
InChIInChI=1S/C11H12N2S2/c1-7-4-5-12-8-6-9(14-2)11(15-3)13-10(7)8/h4-6H,1-3H3
InChIKeyYUMWMQSFAQDUFU-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.38
Rot. Bonds2

About 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine

8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine (PubChem CID 164905112) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine.

Molecular Properties

Compound Name8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine
PubChem CID164905112
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine
SMILESCSc1cc2nccc(C)c2nc1SC
InChIInChI=1S/C11H12N2S2/c1-7-4-5-12-8-6-9(14-2)11(15-3)13-10(7)8/h4-6H,1-3H3
InChIKeyYUMWMQSFAQDUFU-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
The IUPAC name of 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine (CID 164905112) is 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine.
What is the SMILES notation for 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
The canonical SMILES for 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine is CSc1cc2nccc(C)c2nc1SC.
What is the InChIKey of 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
The InChIKey is YUMWMQSFAQDUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-7-4-5-12-8-6-9(14-2)11(15-3)13-10(7)8/h4-6H,1-3H3.
What are the key properties of 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine?
8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine has a molecular weight of 236.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3-bis(methylsulfanyl)-1,5-naphthyridine is sourced from PubChem (CID 164905112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).