Thianthren
Thianthrene
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
92-85-3- Standard-SMILES
c1ccc2c(c1)Sc1ccccc1S2- InChIKey
GVIJJXMXTUZIOD-UHFFFAOYSA-N- Summenformel
- C12H8S2
- Durchschnittliche Molmasse
- 216,3 g/mol
- Monoisotopische Masse
- 216,00674226
Überblick
Thianthrene is the organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin. It is a mancude organic heterotricyclic parent, an organosulfur heterocyclic compound and a member of thianthrenes.
Namen und Bezeichner
- Bevorzugter Name
- Thianthrene
- IUPAC
- thianthrene
- Lokaler Name
- Thianthren
- Englischer Name
- Thianthrene
- Summenformel
- C12H8S2
- Molmasse
- 216.32
Namen und Synonyme
THIANTHRENE92-85-3ThianthrenThiaanthrene9,10-DithiaanthraceneDTXSID6059071CHEBI:64511NSC-4394139V9M46HRefChem:897643DTXCID4048779202-197-0
Weitere Namen anzeigen
AKOS 90207hianthreneThianthrene,97%Thianthrene >Thianthrene ,98%THIANTHRENE, 99+%diphylene disulfide
DIPHENYLENE DISULFIDEC12H8S2diphenylene disulphidedibenzo-1,4-dithiinMFCD00005065DIBENZODITHIODIOXANEAI3-00638NSC439
Datenbank-Bezeichner
- CAS
92-85-3- PubChem CID
- 7109
- DTXSID
DTXSID6059071- ChEMBL
CHEMBL488176- ChEBI
CHEBI:64511- UNII
- 4139V9M46H
- EC Number
- 202-197-0
- Nikkaji
- J4.662K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 50,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 162
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Sulfur Compounds
LogP4.47
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.000031 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 151 · 151-155 °C (lit.)
- Siedepunkt
- 364 · 364-366 °C (lit.)
- Dichte
- 1.442 · 1.4420
- Brechungsindex
- 1.621 · 1.6210 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMF: soluble
- Aggregatzustand
- powder to crystal
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.
Not Classified
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationThianthrene: 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.
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesIn its electron deficient state, effects formation of high-energy phosphate bonds in process of oxidative phosphorylation. [ChemIDplus]
General Manufacturing InformationThianthrene: ACTIVE
Anwendungen
VerwendenThianthrene has been used to study aqueous solubilities of several solid nitrogen-, sulfur- and oxygen-containing heterocyclic derivatives of anthracene, phenanthrene and fluorene. It has been used in determination of partition coefficients of several sulfur-containing aromatics in 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and supercritical carbon dioxide.
Darstellung
synthetischeThianthrene was first synthesized by John Stenhouse by dry distillation of sodium benzenesulfonate. Thianthrene can be prepared by treating benzene with disulfur dichloride in the presence of aluminium chloride.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…