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Structure

3-Isothiazol-5-yl-phenylamine

CAS
904086-00-6
Catalog Number
ACM904086006
Category
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What is the molecular formula of the compound?

The molecular formula of the compound is C9H8N2S.

What are the synonyms of the compound?

The synonyms of the compound are 3-(Isothiazol-5-yl)aniline, 904086-00-6, 3-(1,2-thiazol-5-yl)aniline, 3-Isothiazol-5-yl-phenylamine, and DTXSID60716993.

What is the molecular weight of the compound?

The molecular weight of the compound is 176.24 g/mol.

When was the compound created?

The compound was created on January 24, 2012.

When was the compound last modified?

The compound was last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(1,2-thiazol-5-yl)aniline.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H8N2S/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,10H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC(=C1)N)C2=CC=NS2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.

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