4-(4-chlorophenyl)sulfanylbenzonitrile

更新时间：2025-08-25 13:35:55

4-(4-chlorophenyl)sulfanylbenzonitrile结构式	常用名	4-(4-chlorophenyl)sulfanylbenzonitrile	英文名	4-(4-chlorophenyl)sulfanylbenzonitrile
	CAS号	96461-81-3	分子量	245.72700
	密度	N/A	沸点	N/A
	分子式	C₁₃H₈ClNS	熔点	N/A
	MSDS	N/A	闪点	N/A

英文名	4-(4-chlorophenyl)sulfanylbenzonitrile
英文别名	更多

分子式	C₁₃H₈ClNS
分子量	245.72700
精确质量	245.00700
PSA	49.09000
LogP	4.36288
InChIKey	CNIPIGLQDBYVPE-UHFFFAOYSA-N
SMILES	N#Cc1ccc(Sc2ccc(Cl)cc2)cc1

4-氯苯硫酚

106-54-7

对硝基苯甲腈

619-72-7

~7%

4-(4-chlorophen...

96461-81-3

文献：Van Der Walt, Mietha M.; Terre'Blanche, Gisella; Lourens, Anna C.U.; Petzer, Anel; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7367 - 7370

对甲氧基苯硫酚

696-63-9

对氟苯腈

1194-02-1

4-(4-chlorophen...

96461-81-3

文献：F.HOFFMANN-LA ROCHE AG Patent: WO2005/5394 A2, 2005 ; Location in patent: Page/Page column 31 ; WO 2005/005394 A2

4-碘苯甲腈

3058-39-7

4-氯苯硫酚

106-54-7

~98%

4-(4-chlorophen...

96461-81-3

文献：Bhadra, Sukalyan; Sreedhar, Bojja; Ranu, Brindaban C. Advanced Synthesis and Catalysis, 2009 , vol. 351, # 14-15 p. 2369 - 2378

sodium p-chloro...

18803-44-6

对硝基苯甲腈

619-72-7

~90%

4-(4-chlorophen...

96461-81-3

文献：Denney, Donald B.; Denney, Dorothy Z.; Perez, Airan Jun Tetrahedron, 1993 , vol. 49, # 21 p. 4463 - 4476

未登录

141212-57-9

~5%

对氯苯基苯基砜

80-00-2

4,4'-二氯二苯砜

80-07-9

4-(4-chlorophen...

96461-81-3

详细

文献：Istrati, Daniela; Popescu, Angela; Mihaiescu, Dan; Saramet, Ioana; Balasu, Mihaela C. Revue Roumaine de Chimie, 2008 , vol. 53, # 6 p. 497 - 503

4-(4-chloro-phe...

100398-34-3

4-(4-chlorophen...

96461-81-3

文献：Leandri et al. Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1957 , vol. 15, p. 51 Chem.Abstr., 1957 , # 14417

4-(4-chlorophen...

96461-98-2

4-(4-chlorophen...

96461-81-3

文献：Leandri et al. Bollettino Scientifico della Facolta di Chimica Industriale di Bologna, 1957 , vol. 15, p. 51 Chem.Abstr., 1957 , # 14417

4-(4-chlorophenyl)sulfanylbenzonitrile上游产品 6
CAS号106-54-7 4-氯苯硫酚 CAS号619-72-7 对硝基苯甲腈 CAS号696-63-9 对甲氧基苯硫酚 CAS号1194-02-1 对氟苯腈
CAS号3058-39-7 4-碘苯甲腈 CAS号100398-34-3 4-(4-chloro-phe...
4-(4-chlorophenyl)sulfanylbenzonitrile下游产品 1
CAS号827610-57-1 [4-(4-chlorophe...

实验名称：Inhibition of human recombinant MAOB expressed in insect cell microsomes using kynura...
来源：ChEMBL
靶标：Amine oxidase [flavin-containing] B
External Id：CHEMBL2216146

实验名称：Inhibition of human recombinant MAOA expressed in insect cell microsomes using kynura...
来源：ChEMBL
靶标：Amine oxidase [flavin-containing] A
External Id：CHEMBL2216147

实验名称：Selectivity index, ratio of Ki for human recombinant MAOA to Ki for human recombinant...
来源：ChEMBL
靶标：N/A
External Id：CHEMBL2214703

实验名称：Selectivity index, ratio of IC50 for human recombinant MAOA to IC50 for human recombi...
来源：ChEMBL
靶标：N/A
External Id：CHEMBL2216145

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4-(4-chlorophenylthio)benzonitrile

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4-(4-chloro-phenylsulfanyl)-benzonitrile

4-(4-chlorothiophenoxy)benzonitrile

Benzonitrile,4-[(4-chlorophenyl)thio]