3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride

HCID 2795201CAS 51642-03-6

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Grundinformationen

Standard-SMILES: Cl.NC1CCS(=O)(=O)C1
InChIKey: MGZQMSFXPSKBDY-UHFFFAOYSA-N
Summenformel: C4H10ClNO2S
Durchschnittliche Molmasse: 171,65 g/mol
Monoisotopische Masse: 171,0120774

Namen und Bezeichner

Bevorzugter Name: 3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride
IUPAC: 1,1-dioxothiolan-3-amine;hydrochloride
Englischer Name: 3-Aminotetrahydro-1H-1lambda6-thiophene-1,1-dione hydrochloride
Summenformel: C4H10ClNO2S
Molmasse: 171.65

Namen und Synonyme

3-AMinotetrahydrothiopene 1,1-dioxide hydrochlorideRefChem:497815695-206-651642-03-63-Aminotetrahydrothiophene 1,1-dioxide hydrochloride1,1-dioxidotetrahydrothien-3-ylamine hydrochlorideMFCD004565841,1-dioxothiolan-3-amine;hydrochlorideTETRAHYDRO-3-THIOPHENAMINE 1,1-DIOXIDE HYDROCHLORIDE3-amino-1lambda-thiolane-1,1-dione hydrochloride(1,1-dioxidotetrahydro-3-thienyl)amine hydrochlorideTetrahydro-3-thiophenamine 1,1-dioxide HCl

Weitere Namen anzeigen

3-Aminosulfolane hydrochlorideTetrahydro-3-thiophenaMine 13-AMINOTHIOLANE-1,1-DIONE, HYDROCHLORIDE1,1-Dioxidotetrahydrothien-3-ylaMine, HCl3-AMINOTETRAHYDROTHIOPHENE 1,1-DIOXIDE HCL3-amino-1λ-thiolane-1,1-dione hydrochlorideTETRAHYDROTHIOPHEN-3-AMINIUM 1,1-DIOXIDE CHLORIDE

AKOS003621287F0802-00393-Thiophenamine, tetrahydro-, 1,1-dioxide, hydrochloride1,1-Dioxo-tetrahydrothiophen-3-ylamine, HClTetrahydrothiophen-3-amine 1,1-dioxide hydrochlorideSCHEMBL1071510DTXSID90383576MGZQMSFXPSKBDY-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 51642-03-6
PubChem CID: 2795201
DTXSID: DTXSID90383576
EC Number: 695-206-6

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 208 °C · 208 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 31 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.