2,2'-Thiodiethanthiol

Bis(2-mercaptoethyl) sulfide

HCID 77117CAS 3570-55-6

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Grundinformationen

Standard-SMILES: SCCSCCS
InChIKey: KSJBMDCFYZKAFH-UHFFFAOYSA-N
Summenformel: C4H10S3
Durchschnittliche Molmasse: 154,3 g/mol
Monoisotopische Masse: 153,99446332

Namen und Bezeichner

Bevorzugter Name: Bis(2-mercaptoethyl) sulfide
IUPAC: 2-(2-sulfanylethylsulfanyl)ethanethiol
Lokaler Name: 2,2'-Thiodiethanthiol
Englischer Name: Bis(2-mercaptoethyl) sulfide
Summenformel: C4H10S3
Molmasse: 154.32

Namen und Synonyme

Bis(2-mercaptoethyl) sulfide3570-55-62,2'-Thiodiethanethiol2-Mercaptoethyl sulfideEthanethiol, 2,2'-thiobis-3-Thia-1,5-pentanedithiolBis(mercaptoethyl) sulfide2,2'-Dimercaptodiethyl sulfideEthanethiol, 2,2'-thiodi-1,5-dimercapto-3-thiapentane1-Mercapto-2-(mercaptoethylthio)ethane2,2'-Sulfanediyldiethanethiol

Weitere Namen anzeigen

CHLUMICRYI DMES2,2'-THIODIETHANTHIOL2,2'-THIODIETHANETHLOL2,2’-thiobis-ethanethio2-mercaptoethyl sulphide

OEU4AZC07SNSC 47669027-67-2DTXSID4044660EINECS 222-671-0Bis(2-sulfanylethyl) sulfide1,4,7-TRITHIAHEPTANEAI3-62012

Datenbank-Bezeichner

CAS: 3570-55-6、9027-67-2
PubChem CID: 77117
DTXSID: DTXSID4044660
ChEMBL: CHEMBL3182274
UNII: OEU4AZC07S
EC Number: 222-671-0、232-819-6
Nikkaji: J93.715K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 27,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 7
Formalladung: 0
Komplexität: 26,1

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -11 °C · -11°C
Siedepunkt: 135 · 135-136 °C10 mm Hg(lit.)
Dichte: 1.183 g/mL · 1.183 g/mL at 25 °C(lit.)
Dampfdruck: 0.61 Pa · 0.61Pa at 20℃
Brechungsindex: 20 · n20/D 1.5961(lit.)
Flammpunkt: 195 °F · 195 °F
Löslichkeit: Difficult to mix.
Aggregatzustand: Liquid
pka: 9.47 · 9.47±0.10(Predicted)
Farbe: Clear colorless
Wasserlöslichkeit: 620 mg/L · 620mg/L at 20℃
BRN: 1445994 · 1445994
InChI: 1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey: KSJBMDCFYZKAFH-UHFFFAOYSA-N
SMILES: SCCSCCS
LogP: 2.52 at · 2.52 at 20℃
CAS Datenbank: 3570 · 3570-55-6(CAS DataBase Reference)
NIST chemische Informationen: 2 · Ethanethiol, 2,2'-thiobis-(3570-55-6)
EPA chemische Informationen: 2 · Ethanethiol, 2,2'-thiobis- (3570-55-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1% (1 of 100) of reports.

Danger

H301 (30%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, 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 100 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 3 Einträge

Ethanethiol, 2,2'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanethiol, 2,2'-thiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).

Status: Cease Manufacture Update: 17-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24589

Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (30%)

Resp. Sens. 1 (100%)

Sicherheitsdaten

F: 10-13-23
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 2930.90.9250
risk_code: 36/37/38
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

Industry UsesMonomers

General Manufacturing Information · 3 Einträge

Adhesive Manufacturing

Ethanethiol, 2,2'-thiobis-: ACTIVE

Terminal deoxyribonucleotidyltransferase: ACTIVE

Anwendungen

Verwenden2,2-Thiodiethanol is used in the synthesis of novel luminescent polynuclear gold(I) phosphine complexes 2,2'-Thiodiethanethiol is used for extraction photometric determination of Ni, gives color reaction with metals.