3-cyanobenzoyl isothiocyanate

Modify Date: 2025-08-25 14:04:08

3-cyanobenzoyl isothiocyanate Structure
3-cyanobenzoyl isothiocyanate structure
Common Name 3-cyanobenzoyl isothiocyanate
CAS Number 100663-26-1 Molecular Weight 188.20600
Density N/A Boiling Point N/A
Molecular Formula C9H4N2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-cyanobenzoyl isothiocyanate

 Chemical & Physical Properties

Molecular Formula C9H4N2OS
Molecular Weight 188.20600
Exact Mass 188.00400
PSA 85.31000
LogP 1.80128

 Synthetic Route

~76%

3-cyanobenzoyl isothiocyanate Structure

3-cyanobenzoyl ...

CAS#:100663-26-1

Literature: PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2007/22305 A2, 2007 ; Location in patent: Page/Page column 33 ; WO 2007/022305 A2

~78%

3-cyanobenzoyl isothiocyanate Structure

3-cyanobenzoyl ...

CAS#:100663-26-1

Literature: Pharmacopeia, Inc. Patent: US2011/71130 A1, 2011 ; Location in patent: Page/Page column 13 ;

~%

3-cyanobenzoyl isothiocyanate Structure

3-cyanobenzoyl ...

CAS#:100663-26-1

Literature: THE REGENTS OF THE UNIVERSITY OF MICHIGAN Patent: WO2009/36175 A2, 2009 ; Location in patent: Page/Page column 52 ; WO 2009/036175 A2

~%

3-cyanobenzoyl isothiocyanate Structure

3-cyanobenzoyl ...

CAS#:100663-26-1

Literature: Kang, Iou-Jiun; Wang, Li-Wen; Hsu, Sheng-Ju; Lee, Chung-Chi; Lee, Yen-Chun; Wu, Yen-Shian; Hsu, Tsu-An; Yueh, Andrew; Chao, Yu-Sheng; Chern, Jyh-Haur Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 15 p. 4134 - 4138
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