4-bromo-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]benzamide

4-BR-N-(2,2,2-TRI-CL-1-(3-(4-ETHENESULFONYL-2-MEO-PH)-THIOUREIDO)-ET)-BENZAMIDE · 4-bromo-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]benzamide · Benzamide, 4-bromo-N-[2,2,2-trichloro-1-[[[[4-(ethenylsulfonyl)-2-methoxyphenyl]amino]thioxomethyl]amino]ethyl]-

https://huagongshe.com/ja/chemical/2830516

4-bromo-N-[2,2,2-trichloro-1-[(4-ethenylsulfonyl-2-methoxyphenyl)carbamothioylamino]ethyl]benzamide の分子構造式

識別子と物理属性

CAS No.	324068-62-4
分子式	C19H17BrCl3N3O4S2
平均分子量	601.7 g/mol
単同位体質量	598.89094 g/mol
SMILES	C=CS(=O)(=O)c1ccc(NC(=S)NC(NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c(OC)c1
InChIKey	FERTZPIHTVPQBJ-UHFFFAOYSA-N
PubChem CID	2830516
EC No.	170-088-4

化学・物理的性質

XLogP	4.9
極性表面積	137
水素結合供与体数	3
水素結合受容体数	5
回転可能結合数	7
重原子数	32
形式電荷	0
複雑度	784
密度	1.632±0.06 g/cm3(Predicted)
pKa（酸解離定数）	10.65±0.70(Predicted)

安全性と法規制

GHS 分類	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)