2-Methylthio-2-imidazolinhydriodid

1H-Imidazole, 4,5-dihydro-2-(methylthio)-, hydriodide (1:1)

HCID 12221228

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Grundinformationen

CAS: 5464-11-9
Standard-SMILES: CSC1=NCCN1.I
InChIKey: PZZRSEUDGCFXIH-UHFFFAOYSA-N
Summenformel: C4H9IN2S
Durchschnittliche Molmasse: 244,1 g/mol
Monoisotopische Masse: 243,95311729

Namen und Bezeichner

Bevorzugter Name: 1H-Imidazole, 4,5-dihydro-2-(methylthio)-, hydriodide (1:1)
IUPAC: 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
Lokaler Name: 2-Methylthio-2-imidazolinhydriodid
Englischer Name: 2-Methylthio-2-imidazoline hydriodide
Summenformel: C4H9IN2S
Molmasse: 244.1

Namen und Synonyme

5464-11-9RefChem:10579301H-Imidazole, 4,5-dihydro-2-(methylthio)-, hydriodide (1:1)2-Methylthio-2-imidazoline hydriodide2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodideMFCD000051812-Methylthio-2-imidazoline, Hydroiodide2-Methylsulfanyl-4,5-dihydro-1H-imidazole hydrogen iodide2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide2-(Methylthio)-4,5-dihydroimidazole Hydroiodide2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodidehydron;2-methylsulfanyl-4,5-dihydro-1H-imidazole;iodide

Weitere Namen anzeigen

2-METHYLTHIO-2-IMIDAZOLINE HYDROIODIDE2-(Methylthio)imidazolinium iodide.2-Methylthio-2-imidazolin Hydroiodide2-Methylthio-2-imidazoline hydriodide 99%2-Methylthio-2-iMidazoline Monohydroiodide2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE, 9 9%3-Methylthio-4,5-dihydroiMidazole Hydroiodide2-Methylthio-2-iMidazoline hydriodide, 99% 25GR

AKOS0033839742-methylsulfanyl-4,5-dihydro-1H-imidazol-3-ium;iodideF2147-03102-(Methylthio)imidazolinium iodide2-Methylmercapto-4,5-dihydroimidazole Hydroiodide2-Imidazoline, monohydriodideSCHEMBL315802DTXSID10969912

Datenbank-Bezeichner

CAS: 5464-11-9
PubChem CID: 12221228
DTXSID: DTXSID10969912
EC Number: 226-756-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 89,7

Physikochemische Eigenschaften

Schmelzpunkt: 144 · 144-146 °C(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Methanol
Aggregatzustand: Solid
Farbe: White
InChI: InChI=1S/C4H8N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H
InChIKey: PZZRSEUDGCFXIH-UHFFFAOYSA-N
SMILES: C1(SC)=NCCN1.I

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29332900
safety_code: 24/25

Chemie und Industrie

Anwendungen

Verwenden2-Methylthio-2-imidazoline hydriodide was used in the preparation of starting materials required for the synthesis of 2-amino1-(2-Imidazolin-2-yl)-2-imidazoline.