HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 2139152Generated: November 4, 2026

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/en/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 molecular structure

Identifiers & Physical Properties

CAS No.	618073-53-3
Molecular formula	C22H19N3O4S
Average molar mass	421.5 g/mol
Monoisotopic mass	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

Chemical & Physical Properties

XLogP	4.8
Topological polar surface area	109
Hydrogen bond donors	0
Hydrogen bond acceptors	7
Rotatable bonds	6
Heavy atoms	30
Formal charge	0
Complexity	677
Boiling point	628.0±65.0 °C(Predicted)
Density	1.35±0.1 g/cm3(Predicted)
pKa (acidity coefficient)	-1.82±0.20(Predicted)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & Regulations

GHS classification	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%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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

CAS No.

618073-53-3

Molecular formula

C22H19N3O4S

Average molar mass

421.5 g/mol

Monoisotopic mass

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

Chemical & Physical Properties

XLogP

4.8

Topological polar surface area

109

Hydrogen bond donors

Hydrogen bond acceptors

Rotatable bonds

Heavy atoms

Formal charge

Complexity

677

Boiling point

628.0±65.0 °C(Predicted)

Density

1.35±0.1 g/cm3(Predicted)

pKa (acidity coefficient)

-1.82±0.20(Predicted)

GHS pictogram

GHS07

Signal word

Warning

GHS hazard statements

H315-H319-H335

GHS precautionary statements

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & Regulations

GHS classification

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%)