2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one

2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one · 2-Thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-on · 2-Thioxo-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one · 2,3-Dihydro-2-thioxothieno[2,3-d]pyrimidin-4(1H)-one · 2-Thioxo-2,3- dihydrothieno[2,3-d]pyrimidin-4(1H)-one · Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-2-thioxo-

https://huagongshe.com/de/chemical/3603393

Molekülstruktur von 2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one

Identifikatoren & physikalische Daten

CAS No.	117516-97-9
Summenformel	C6H4N2OS2
Durchschnittliche Molmasse	184,2 g/mol
Monoisotopische Masse	183,9765051 g/mol
SMILES	O=c1[nH]c(=S)[nH]c2sccc12
InChIKey	SJFBCDCLMGDIRN-UHFFFAOYSA-N
PubChem CID	3603393
ChEMBL	CHEMBL1462635
EC No.	855-756-1
DTXSID	DTXSID90394066

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	101
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	219
Dichte	1.65
Lagerbedingungen	Sealed in dry,Room Temperature

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, 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	Acute Tox. 4 (100%)Eye Dam. 1 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302