CAS 59801-62-6 Thiomorpholine 1,1-dioxide hydrochloride (HCID 12324096)

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Grundinformationen

CAS: 59801-62-6
Standard-SMILES: Cl.O=S1(=O)CCNCC1
InChIKey: UOMTVKMKHZMFMQ-UHFFFAOYSA-N
Summenformel: C4H10ClNO2S
Durchschnittliche Molmasse: 171,65 g/mol
Monoisotopische Masse: 171,01207724

Namen und Bezeichner

Bevorzugter Name: Thiomorpholine 1,1-dioxide hydrochloride
IUPAC: 1,4-thiazinane 1,1-dioxide;hydrochloride
Englischer Name: Thiomorpholine 1,1-dioxide hydrochloride
Summenformel: C4H10ClNO2S
Molmasse: 171.65

Namen und Synonyme

Thiomorpholine 1,1-dioxide hydrochlorideRefChem:897842807-833-659801-62-6THIOMORPHOLINE-1,1-DIOXIDE HYDROCHLORIDEMFCD06738995Thiomorpholine-1,1-dioxide HClThiomorpholine-1,1-oxide hydrochloride1,4-thiazinane 1,1-dioxide;hydrochlorideThiomorpholine 1,1-dioxide HCl1,4-thiazaperhydroine-1,1-dione, chlorideThiomorpholine, 1,1-dioxide, hydrochloride

Weitere Namen anzeigen

EOS-60876THIOMORPHOLINE 11-DIOXIDE HYDROCHLORIDEine 1,1-dioxide hydrochL1,4-thiazinane1,1-dioxideThiomorpholine dioxide hydrogen1,1-dioxothiomorpholine hydrochlorides,s-dioxythiomorpholine hydrochloride

dioxide hydrochlorideThiomorpholine-1,1-SCHEMBL1002624DTXSID70489121UOMTVKMKHZMFMQ-UHFFFAOYSA-NSBB056140Thiomorpholine1,1-dioxidehydrochloride1,1-dioxo-thio-morpholinehydrochloride

Datenbank-Bezeichner

CAS

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 54,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 143

Physikochemische Eigenschaften

Schmelzpunkt: 307 °C · 307 °C (decomp)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
Farbe: White
InChI: InChI=1S/C4H9NO2S.ClH/c6-8(7)3-1-5-2-4-8;/h5H,1-4H2;1H
InChIKey: UOMTVKMKHZMFMQ-UHFFFAOYSA-N
SMILES: C1S(=O)(=O)CCNC1.[H]Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.