Thianthren

Thianthrene

HCID 7109CAS 92-85-3
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Grundinformationen

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 Struktureigenschaften

XLogP
4,6
Polarare Oberfläche (TPSA)
50,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
14

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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 · 1 Eintrag

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

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: 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.

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