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/ko/chemical/2830516

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

식별자 및 물리적 특성

CAS No.	324068-62-4
분자식	C19H17BrCl3N3O4S2
평균 분자량	601.7 g/mol
단동위원소 질량	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

화학 및 물리적 성질

XLogP	4.9
극성 표면적	137
수소 결합 공여자 수	3
수소 결합 수용자 수	5
회전 가능 결합 수	7
무거운 원자 수	32
형식 전하	0
복잡도	784
밀도	1.632±0.06 g/cm3(Predicted)
pKa(산도 계수)	10.65±0.70(Predicted)

안전 및 규제

GHS 분류	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%)