10H-Dibenzo[b,e]thiin

Thioxanthen · 9H-Thioxanthene · Thiaxanthen · Thiaxanthene · Thioxanthene · Thioxanethene · Dibenzothiapyran · Thioxanthene CRS

Identifikatoren & physikalische Daten

CAS No.	261-31-4
Summenformel	C13H10S
Durchschnittliche Molmasse	198,29 g/mol
Monoisotopische Masse	198,05032132 g/mol
SMILES	c1ccc2c(c1)Cc1ccccc1S2
InChIKey	PQJUJGAVDBINPI-UHFFFAOYSA-N
PubChem CID	67495
ChEMBL	CHEMBL79451
ChEBI	CHEBI:51055
EC No.	205-972-1
DTXSID	DTXSID20180732
Lokaler Name	10H-Dibenzo[b,e]thiin

XLogP	3,9
Polarare Oberfläche (TPSA)	25,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	14
Formalladung	0
Komplexität	181
Kosmetika	AntioxidantHair conditioning
SpringerMaterials Properties	Schoenflies notation
LogP (Verteilungskoeffizient)	3.86
Schmelzpunkt	128-131°C
Siedepunkt	340°C/730mmHg
Dichte	1.1424 (rough estimate)
Brechungsindex	1.6720 (estimate)
Lagerbedingungen	2-8°C
Aggregatzustand	Crystals and Needles
Farbe	White
Kosmetik-Inhaltsstoffe Funktionen	ANTIOXIDANTHAIR CONDITIONING
LogP (Verteilungskoeffizient)	4.330 (est)

GHS-Einstufung	WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	9H-Thioxanthene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
UN-Transportnummer	UN 3077 9 / PGIII
Zollcode	29349990