Ethylene di(S-thioacetate)

HCID 61059CAS 123-81-9

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Grundinformationen

Standard-SMILES: O=C(CS)OCCOC(=O)CS
InChIKey: PSYGHMBJXWRQFD-UHFFFAOYSA-N
Summenformel: C6H10O4S2
Durchschnittliche Molmasse: 210,3 g/mol
Monoisotopische Masse: 210,0020508

Überblick

See also: Ethylene glycol bis-mercaptoacetate (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: Ethylene di(S-thioacetate)
IUPAC: 2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate

Namen und Synonyme

Glycol dimercaptoacetateEthylene di(S-thioacetate)RefChem:596598204-653-4123-81-9Ethylene glycol bisthioglycolateEthylene mercaptoacetateGDMAEthylenebis(thioglycolate)Glycol bis(mercaptoacetate)Ethylene bis(mercaptoacetate)Ethylene glycol bis(mercaptoacetate)

Weitere Namen anzeigen

2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetateEthylene glycol bis(thioglycolic ester)2-[(2-sulfanylacetyl)oxy]ethyl 2-sulfanylacetateEthylene glycol bis(thioglycolate)ACETIC ACID, MERCAPTO-, 1,2-ETHANEDIYL ESTERMFCD00004875Acetic acid, mercapto-, ethylene esterEthylene Bis(thioglycolate) (Purified)

Datenbank-Bezeichner

CAS: 123-81-9
PubChem CID: 61059
DTXSID: DTXSID0044527
ChEMBL: CHEMBL3186931
EC Number: 204-653-4
Nikkaji: J25.552A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 54,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 7
Schwere Atome: 12
Formalladung: 0
Komplexität: 142

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 5% (6 of 119) of reports.

Warning

H302+H312+H332 (15.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 119 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.