1-ethyl-1H-imidazole-2-thiol

HCID 178462645

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Grundinformationen

CAS: 10583-83-2
Standard-SMILES: CCn1ccnc1S
InChIKey: MDMNGFFWUZNOSO-UHFFFAOYSA-N
Summenformel: C5H8N2S
Durchschnittliche Molmasse: 128,2 g/mol
Monoisotopische Masse: 128,04081944

Namen und Bezeichner

Bevorzugter Name: 1-ethyl-1H-imidazole-2-thiol
IUPAC: 3-ethyl-1H-imidazole-2-thione
Englischer Name: 1-Ethyl-1H-imidazole-2-thiol
Summenformel: C5H8N2S
Molmasse: 128.2

Namen und Synonyme

1-ethyl-1H-imidazole-2-thiolRefChem:432330802-460-510583-83-23-ethyl-1H-imidazole-2-thione1-ethyl-2-mercaptoimidazoleSCHEMBL995900SCHEMBL26423921-ethyl-2(3h)-imidazolethioneSCHEMBL11565383DTXSID70500608MDMNGFFWUZNOSO-UHFFFAOYSA-N

Weitere Namen anzeigen

2H-Imidazole-2-thione, 1-ethyl-1,3-dihydro-

AKOS000119220AKOS0223580371-Ethyl-1,3-dihydro-2H-imidazole-2-thioneCS-0243163EN300-26018AB00983682-01Z220434788

Datenbank-Bezeichner

CAS: 10583-83-2
PubChem CID: 12503264

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 47,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Schmelzpunkt: 68 · 68-70 °C
Siedepunkt: 176.3 · 176.3±23.0 °C(Predicted)
Dichte: 1.21 · 1.21±0.1 g/cm3(Predicted)
pka: 12.29 · 12.29±0.50(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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.；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.