3-[(E)-(2-(4-Isopropoxyphenyl)-6-oxo[1,3]thiazolo[3,2-B][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate

SALOR-INT L423181-1EA · (E)-3-((2-(4-isopropoxyphenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate · Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[[3-(acetyloxy)phenyl]methylene]-2-[4-(1-methylethoxy)phenyl]- · 3-[(E)-(2-(4-ISOPROPOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]PHENYL ACETATE

https://huagongshe.com/ja/chemical/2139152

3-[(E)-(2-(4-Isopropoxyphenyl)-6-oxo[1,3]thiazolo[3,2-B][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate の分子構造式

識別子と物理属性

CAS No.	618073-53-3
分子式	C22H19N3O4S
平均分子量	421.5 g/mol
単同位体質量	421.10962727 g/mol
SMILES	CC(=O)Oc1cccc(/C=c2/sc3nc(-c4ccc(OC(C)C)cc4)nn3c2=O)c1
InChIKey	HFJQDUCPXOGGTR-XDHOZWIPSA-N
PubChem CID	2139152
EC No.	637-732-0

化学・物理的性質

XLogP	4.8
極性表面積	109
水素結合供与体数	0
水素結合受容体数	7
回転可能結合数	6
重原子数	30
形式電荷	0
複雑度	677
沸点	628.0±65.0 °C(Predicted)
密度	1.35±0.1 g/cm3(Predicted)
pKa（酸解離定数）	-1.82±0.20(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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
危険有害性情報	コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315