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Structure

2-Pyrrolidinone,1-(2-methylphenyl)-5-thioxo-

CAS
96933-17-4
Catalog Number
ACM96933174
Category
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What is the molecular formula of the compound?

The molecular formula of the compound is C11H11NOS.

What are the synonyms of the compound?

The synonyms of the compound are 96933-17-4 and 5-Thioxo-1-(o-tolyl)pyrrolidin-2-one.

What is the molecular weight of the compound?

The molecular weight of the compound is 205.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(2-methylphenyl)-5-sulfanylidenepyrrolidin-2-one.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H11NOS/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is YPGCUGCWPOJLSV-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC1=CC=CC=C1N2C(=O)CCC2=S.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 0.9.

How many hydrogen bond acceptor count does the compound have?

The compound has 2 hydrogen bond acceptor count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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