3-(4-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile

Modify Date: 2025-12-02 12:45:39

3-(4-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile Structure
3-(4-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile structure
Common Name 3-(4-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile
CAS Number 95479-50-8 Molecular Weight 280.34400
Density N/A Boiling Point N/A
Molecular Formula C16H12N2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(4-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C16H12N2OS
Molecular Weight 280.34400
Exact Mass 280.06700
PSA 69.40000
LogP 3.66218
InChIKey JYIJBKMDHKYGBN-UHFFFAOYSA-N
SMILES Cc1ccc(C(=O)N2c3ccccc3SC2C#N)cc1

 Synthetic Route

~99%

3-(4-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile Structure

3-(4-methylbenz...

CAS#:95479-50-8

Literature: Pandya, Ashish; Gibson, Harry W. Journal of Organic Chemistry, 1993 , vol. 58, # 10 p. 2851 - 2855

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3-(4-methylbenzoyl)-2H-1,3-benzothiazole-2-carbonitrile Structure

3-(4-methylbenz...

CAS#:95479-50-8

Literature: Uff, Barrie C.; Ho, Yee-Ping; Brown, David S.; Fisher, Ian; Popp, Frank D.; Kant, Joydeep Journal of Chemical Research, Miniprint, 1989 , # 11 p. 2652 - 2681

 Synonyms

2,3-dihydro-3-(4-methylbenzoyl)-2-benzothiazolecarbonitrile
2-Cyano-3-p-toluoyl-2,3-dihydrobenzothiazole
2-Benzothiazolecarbonitrile,2,3-dihydro-3-(4-methylbenzoyl)
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