4-(Dimethylamino)benzene-1-thiol

4-(Dimethylamino)benzenethiol · 4-Mercapto-N,N-dimethylaniline · N,N-dimethyl-4-aminothiophenol · 4-(dimethylamino)benzene-1-thiol · Benzenethiol, 4-(dimethylamino)- · 4-(Dimethylamino)benzenethiol>4-(Dimethylamino)thiophenol 4-Mercapto-N,N-dimethylaniline

https://huagongshe.com/de/chemical/21061

Molekülstruktur von 4-(Dimethylamino)benzene-1-thiol

Identifikatoren & physikalische Daten

CAS No.	4946-22-9
Summenformel	C8H11NS
Durchschnittliche Molmasse	153,25 g/mol
Monoisotopische Masse	153,06122053 g/mol
SMILES	CN(C)c1ccc(S)cc1
InChIKey	PQSBRHXGVPVYFJ-UHFFFAOYSA-N
PubChem CID	21061
EC No.	675-537-2
DTXSID	DTXSID30197795

Chemische & physikalische Eigenschaften

XLogP	2,6
Polarare Oberfläche (TPSA)	4,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	95,4
Schmelzpunkt	28.45°C
Siedepunkt	260°C(lit.)
Dichte	1.0676 (rough estimate)
Brechungsindex	1.5500 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	powder to lump to clear liquid
pKa (Säurekonstante)	10.14±0.24(Predicted)
Farbe	White or Colorless to Yellow to Orange
InChI	1S/C8H11NS/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKey	PQSBRHXGVPVYFJ-UHFFFAOYSA-N
SMILES	CN(C)c1ccc(S)cc1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard Classes and Categories	Eye Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	29309090
RTECS-Nr.	DC1575000
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2

Anwendungen & Verwendung

Verwenden

4-(Dimethylamino)benzenethiol can be used as NTCP inhibitors to treat HBV and/or HDV infection, hepatoprotection and amelioration of hypercholesterolemia, diabetes and inhibiting cancer.