Ly 178002

• CAS: 107889-32-7
• Catalog Number: ACM107889327
• Category: Other Products
• Molecular Weight: 0
• Synonyms: LY 178002;5-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]thiazolidin-4-one

Custom Q&A

What is the molecular formula of the compound with PubChem CID 9905132?

The molecular formula is C18H25NO2S.

What is the molecular weight of the compound?

The molecular weight is 319.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is (5E)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the InChI of the compound?

The InChI is InChI=1S/C18H25NO2S/c1-17(2,3)12-7-11(9-14-16(21)19-10-22-14)8-13(15(12)20)18(4,5)6/h7-9,20H,10H2,1-6H3,(H,19,21)/b14-9+.

What is the InChIKey of the compound?

The InChIKey is BUDGLLLMROWLOB-NTEUORMPSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)NCS2.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 5.2.

What is the topological polar surface area of the compound?

The topological polar surface area is 74.6 Å2.

Is the compound canonicalized?

Yes, the compound is canonicalized.