3-[(Pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

https://huagongshe.com/de/chemical/866366

Identifikatoren & physikalische Daten

CAS No.	4210-51-9
Summenformel	C14H11N3OS
Durchschnittliche Molmasse	269,32 g/mol
Monoisotopische Masse	269,06228316 g/mol
SMILES	O=c1c2ccccc2[nH]c(=S)n1Cc1ccccn1
InChIKey	PAAOKGWSUGKWFC-UHFFFAOYSA-N
PubChem CID	866366
EC No.	850-173-9
DTXSID	DTXSID90357737

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	77,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	19
Formalladung	0
Komplexität	374

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)