4-Pyridoethanethiol

HCID 150969CAS 2127-05-1

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Grundinformationen

Standard-SMILES: SCCc1ccncc1
InChIKey: VBAOEVKQBLGWTH-UHFFFAOYSA-N
Summenformel: C7H9NS
Durchschnittliche Molmasse: 139,22 g/mol
Monoisotopische Masse: 139,04557029

Überblick

reacts with dehydroalanine residues in peptides and proteins in alkaline solution to form 4-pyridoethylcysteine residues

Namen und Bezeichner

Bevorzugter Name: 4-Pyridoethanethiol
IUPAC: 2-pyridin-4-ylethanethiol
Englischer Name: 4-Pyridylethylmercaptan
Summenformel: C7H9NS
Molmasse: 139.22

Namen und Synonyme

2127-05-14-PyridoethanethiolDTXSID90175519RefChem:100455DTXCID90980104-pyridylethylmercaptan2-pyridin-4-ylethanethiol2-(Pyridin-4-yl)ethane-1-thiol2-(4-pyridyl)ethanethiol4-Pyridineethanethiol2-(pyridin-4-yl)ethanethiolMFCD00973403

Weitere Namen anzeigen

4-(2-Thioethyl)pyridinePyridine-4-(ethanethiol)2-PYRIDIN-4-YL-ETHANTHIOL2-(4-Pyridinyl)ethanethiol4-(2-Mercaptoethyl)pyridine2-(Pyridine-4-yl)ethanethiol

2-(4-pyridyl)ethane-1-thiol2-(4'-PYRIDYL)ETHANETHIOL4-(2-Sulphanylethyl)pyridine4-mercaptoethyl pyridineSCHEMBL734822-(4-pyridyl)ethyl mercaptanSCHEMBL31195924-pyridylethylmercaptan, AldrichCPR

Datenbank-Bezeichner

CAS: 2127-05-1
PubChem CID: 150969
DTXSID: DTXSID90175519
EC Number: 691-604-9
Nikkaji: J157.845F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 13,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 69,3

Physikochemische Eigenschaften

storage temp.: Amber Vial, Refrigerator, Under Inert Atmosphere
Aggregatzustand: oil
Farbe: Clear, colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.