HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 662913Generated: November 3, 2026

4-Ethyl-3-(2-furyl)-5-((3-methoxybenzyl)thio)-4H-1,2,4-triazole

SALOR-INT L466093-1EA · 4-ETHYL-3-(2-FURYL)-5-((3-METHOXYBENZYL)THIO)-4H-1,2,4-TRIAZOLE · 4H-1,2,4-Triazole, 4-ethyl-3-(2-furanyl)-5-[[(3-methoxyphenyl)methyl]thio]-

https://huagongshe.com/en/chemical/662913

4-Ethyl-3-(2-furyl)-5-((3-methoxybenzyl)thio)-4H-1,2,4-triazole molecular structure

Identifiers & Physical Properties

CAS No.	573949-95-8
Molecular formula	C16H17N3O2S
Average molar mass	315.4 g/mol
Monoisotopic mass	315.10414797 g/mol
SMILES	CCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1
InChIKey	JDSTVXZKMYUQDJ-UHFFFAOYSA-N
PubChem CID	662913
ChEMBL	CHEMBL1449935
EC No.	657-697-5

Chemical & Physical Properties

XLogP	2.8
Topological polar surface area	78.4
Hydrogen bond donors	0
Hydrogen bond acceptors	5
Rotatable bonds	6
Heavy atoms	22
Formal charge	0
Complexity	347
Boiling point	507.3±60.0 °C(Predicted)
Density	1.25±0.1 g/cm3(Predicted)
pKa (acidity coefficient)	1.12±0.10(Predicted)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H335-H315-H319
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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	H335-H315-H319
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P