4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile

Modify Date: 2025-12-01 13:15:23

4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile Structure
4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile structure
 Common Name 4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile
CAS Number 88112-07-6 Molecular Weight 252.29100
Density N/A Boiling Point N/A
Molecular Formula C14H8N2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile

 Chemical & Physical Properties

Molecular Formula C14H8N2OS
Molecular Weight 252.29100
Exact Mass 252.03600
PSA 74.03000
LogP 2.92388
InChIKey LJJBOYYDKLOQEY-UHFFFAOYSA-N
SMILES N#Cc1ccc(-n2sc3ccccc3c2=O)cc1

 Synthetic Route

N-(4-cyanophenyl)-2-mercaptobenzamide structure

N-(4-cyanopheny...

CAS#:1445948-92-4

~98%

4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile Structure

4-(3-oxo-1,2-be...

CAS#:88112-07-6

Literature: Wang, Zhen; Kuninobu, Yoichiro; Kanai, Motomu Journal of Organic Chemistry, 2013 , vol. 78, # 14 p. 7337 - 7342
4-Aminobenzonitrile structure

4-Aminobenzonitrile

CAS#:873-74-5

Methyl 2-sulfanylbenzoate structure

Methyl 2-sulfan...

CAS#:4892-02-8

~%

4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile Structure

4-(3-oxo-1,2-be...

CAS#:88112-07-6

Literature: Wang, Zhen; Kuninobu, Yoichiro; Kanai, Motomu Journal of Organic Chemistry, 2013 , vol. 78, # 14 p. 7337 - 7342
2-[(2-carbonochloridoylphenyl)disulfanyl]benzoyl chloride structure

2-[(2-carbonoch...

CAS#:19602-82-5

4-Aminobenzonitrile structure

4-Aminobenzonitrile

CAS#:873-74-5

~%

4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile Structure

4-(3-oxo-1,2-be...

CAS#:88112-07-6

Literature: Kamigata, Nobumasa; Hashimoto, Satoshi; Kobayashi, Michio; Nakanishi, Hiroshi Bulletin of the Chemical Society of Japan, 1985 , vol. 58, # 11 p. 3131 - 3136
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Chemsrc provides CAS#:88112-07-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile>> amp version: 4-(3-oxo-1,2-benzothiazol-2-yl)benzonitrile

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