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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 275437Erstellt: 4. November 2026

(2-Benzimidazolylmethylthio)-acetic acid

2-Carboxymethylthiomethylbenzimidazole · Acetic acid, [(2-benzimidazolylmethyl)thio]- · [(1H-benzimidazol-2-ylmethyl)thio]acetic acid · 2-(1H-benzimidazol-2-ylmethylthio)acetic acid · 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetic acid · Acetic acid, 2-[(1H-benzimidazol-2-ylmethyl)thio]- · 2-(1H-benzimidazol-2-ylmethylsulfanyl)ethanoic acid · 2-(((1H-Benzo[d]imidazol-2-yl)methyl)thio)acetic acid

https://huagongshe.com/de/chemical/275437

Molekülstruktur von (2-Benzimidazolylmethylthio)-acetic acid

Identifikatoren & physikalische Daten

CAS No.6017-11-4
SummenformelC10H10N2O2S
Durchschnittliche Molmasse222,27 g/mol
Monoisotopische Masse222,04629874 g/mol
SMILESO=C(O)CSCc1nc2ccccc2[nH]1
InChIKeyBLUMZAJRPJMXSA-UHFFFAOYSA-N
PubChem CID275437
ChEMBLCHEMBL1362181
EC No.637-359-3
DTXSIDDTXSID50975592

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)91,3
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen4
Schwere Atome15
Formalladung0
Komplexität237
Löslichkeit31.7 [ug/mL] (The mean of the results at pH 7.4)
Schmelzpunkt192-194 °C(Solvent: Water)
Siedepunkt514.851±35.00 °C(Press: 760.00 Torr)(predicted)
Dichte1.453±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (Säurekonstante)5.46 (pKa2)(Solvent: Tetramethylammonium hydroxide)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
AlarmwortAchtung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302