S-Methylthiouroniumiodid

S-methylthiouronium iodide

HCID 197812CAS 4338-95-8

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Grundinformationen

Standard-SMILES: CSC(=N)N.I
InChIKey: LFXAECSQJSRSTP-UHFFFAOYSA-N
Summenformel: C2H7IN2S
Durchschnittliche Molmasse: 218,06 g/mol
Monoisotopische Masse: 217,93747

Namen und Bezeichner

Bevorzugter Name: S-methylthiouronium iodide
IUPAC: methyl carbamimidothioate;hydroiodide
Lokaler Name: S-Methylthiouroniumiodid
Englischer Name: Methyl aminomethanimidothioate hydroiodide
Summenformel: C2H7IN2S
Molmasse: 218.06

Namen und Synonyme

S-Methylthiouronium iodideRefChem:884268224-391-44338-95-8Methyl aminomethanimidothioate hydroiodideS-Methylisothiourea hydroiodidemethyl carbamimidothioate hydroiodidemethyl carbamimidothioate;hydroiodideMethylthiouronium iodideMFCD000355982-Methyl-2-thiopseudourea hydroiodide2-Methyl-isothiourea; hydriodide

Weitere Namen anzeigen

hydriodidemethylthiouroniumiodides-methylthiuroniumiodides-methylthiouroniumiodide2-methylisothiouroniumiodides-methylisothiouroniumiodides-methylisothioureahydriodide2-Methyl-isothiourea: hydriodide

(methylsulfanyl)methanimidamide hydroiodideNSC-142512Sulfiodemethylthiocarboxamidine, iodideS-Methylthiuronium iodide2-Methylisothiouronium iodideS-Methylisothiouronium iodideS-Methylisothiourea hydriodide

Datenbank-Bezeichner

CAS: 4338-95-8
PubChem CID: 197812
UNII: 54P7E3EDR4
EC Number: 224-391-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 75,2 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 42

Physikochemische Eigenschaften

Schmelzpunkt: 82 °C · 82 °C
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: solid
Farbe: Yellow
InChI: 1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H
InChIKey: LFXAECSQJSRSTP-UHFFFAOYSA-N
SMILES: I.CSC(N)=N
CAS Datenbank: 4338 · 4338-95-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2930909899
risk_code: 22-36
hazard_code: Xn
safety_code: 26
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden2-Methyl-2-isothiourea Hydriodide is used as a reactant in the synthesis of alkyl/acyl guanidines and pyrimidine derivatives. It can also be used as a catalyst in the rearrangement of penicillin 1-oxides.