Morpholin-4-ylethylthiol

4-Morpholineethanethiol

HCID 20666

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Grundinformationen

CAS: 4542-46-5
Standard-SMILES: SCCN1CCOCC1
InChIKey: YZVWMFBVTTUSAW-UHFFFAOYSA-N
Summenformel: C6H13NOS
Durchschnittliche Molmasse: 147,24 g/mol
Monoisotopische Masse: 147,07178521

Namen und Bezeichner

Bevorzugter Name: 4-Morpholineethanethiol
IUPAC: 2-morpholin-4-ylethanethiol
Lokaler Name: Morpholin-4-ylethylthiol
Englischer Name: morpholin-4-ylethylthiol
Summenformel: C6H13NOS
Molmasse: 147.24

Namen und Synonyme

4542-46-54-Morpholineethanethiol2-Morpholinoethanethiol2-(4-Morpholinyl)ethanethiolMorpholine, 4-mercaptoethyl-N-MorpholylcysteaminN-Morpholylcysteamin [German]4-(2-Mercaptoethyl)morpholineETHANETHIOL, MORPHOLINO-BRN 0104376EINECS 224-893-34-Morpholinethanethiol

Weitere Namen anzeigen

2-morpholinoethane-1-thiol2-(morpholino)ethane-1-thiol2-(morpholin-4-yl)ethane-1-thiol

4-27-00-00106 (Beilstein Handbook Reference)Ethanethiol, 2-morpholino-DTXSID1063514RefChem:99984DTXCID0040412YZVWMFBVTTUSAW-UHFFFAOYSA-N2-(morpholin-4-yl)ethane-1-thiolMorpholin-4-ylethylthiol

Datenbank-Bezeichner

CAS: 4542-46-5
PubChem CID: 20666
DTXSID: DTXSID1063514
EC Number: 224-893-3
Nikkaji: J297.807E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 13,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 73

Physikochemische Eigenschaften

Siedepunkt: 110.5 °C · 110.5°C
Dichte: 1.017 · 1.017 (estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
pka: 10.17 · 10.17±0.10(Predicted)
EPA chemische Informationen: 4 · 4-Morpholineethanethiol (4542-46-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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 2 reports by companies from 1 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.