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HCID 14520Erstellt: 25. Oktober 2026

(±)-N-(Tetrahydro-2-oxothien-3-yl)acetamid

N-ACETYL-DL-HOMOCYSTEINE THIOLACTONE · cdpc · CITIOLONE · West for walter · Citiolone USP/EP/BP · LABOTEST-BB LT00112293 · citicoline diphosphate choline · N-(2-Oxothiolan-3-yl)acetamide

https://huagongshe.com/de/chemical/14520

Molekülstruktur von (±)-N-(Tetrahydro-2-oxothien-3-yl)acetamid

Identifikatoren & physikalische Daten

CAS No.1195-16-0
SummenformelC6H9NO2S
Durchschnittliche Molmasse159,21 g/mol
Monoisotopische Masse159,0353997 g/mol
SMILESCC(=O)NC1CCSC1=O
InChIKeyNRFJZTXWLKPZAV-UHFFFAOYSA-N
PubChem CID14520
ChEMBLCHEMBL2104457
ChEBICHEBI:94403
EC No.214-793-8
DTXSIDDTXSID0045888
Lokaler Name(±)-N-(Tetrahydro-2-oxothien-3-yl)acetamid

Chemische & physikalische Eigenschaften

XLogP-0,3
Polarare Oberfläche (TPSA)71,5
H-Brücken-Donoren1
H-Brücken-Akzeptoren3
Frei drehbare Bindungen1
Schwere Atome10
Formalladung0
Komplexität169
Collision Cross Section126.7 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]132.49 Ų [M+H]+ [CCS Type: TW149.02 Ų [M+K]+ [CCS Type: TW136.17 Ų [M+Na]+ [CCS Type: TW
Schmelzpunkt109-111 °C
Dichte1.202 (estimate)
Brechungsindex1.5500 (estimate)
Lagerbedingungen-20°C
AggregatzustandCrystalline Powder
FarbeWhite to off-white
InChIInChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKeyNRFJZTXWLKPZAV-UHFFFAOYSA-N
SMILESC1(NC(=O)C)CCSC1=O
CAS Datenbank17896-21-8(CAS DataBase Reference)
EPA chemische InformationenAcetamide, N-(tetrahydro-2-oxo-3-thienyl)- (17896-21-8)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische InformationenChemical: Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-
Weitere SicherheitsinformationenIMAP assessments - Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-: Environment tier I assessmentIMAP assessments - Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Wassergefährdungsklasse (WGK)3
Zollcode29349990
RTECS-Nr.AC8680000
R-Sätze (R)25
Toxizitätmouse,LD50,intravenous,1200mg/kg (1200mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 72, 1958.
GefahrensymboleT
Sicherheitshinweise (S)22-24/25-45