2-Isopropylthioxanthon - Moligand™, ≥98%(GC) , CAS No.5495-84-1

CAS: 5495-84-1 Cat. No.: I138984 Summenformel: C₁₆H₁₄OS Molekulargewicht: 254.35 EG-Nummer: 226-827-9

GRADE & PURITY Moligand™, ≥98%(GC)

Synonyms

KTALPKYXQZGAEG-UHFFFAOYSA- | PD158958 | EINECS 226-827-9 | I0678 | STK370619 | 2-Isopropylthioxanthone (2-ITX) | 2-Isopropyl-9H-thioxanthen-9-one | 2-(propan-2-yl)-9H-thioxanthen-9-one | 2-Isopropyltioxanthone | A830425 | ISOPROPYL THIOXANTHONE [INCI] | N

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Übersicht

2-Isopropylthioxanthon ist eine Verbindung, die die Rolle eines schwefelhaltigen Fotoinitiators in der Druckindustrie und in UV-gehärteten Farben für Lebensmittelverpackungen spielen kann.

Specifications

Synonyme

KTALPKYXQZGAEG-UHFFFAOYSA- | PD158958 | EINECS 226-827-9 | I0678 | STK370619 | 2-Isopropylthioxanthone (2-ITX) | 2-Isopropyl-9H-thioxanthen-9-one | 2-(propan-2-yl)-9H-thioxanthen-9-one | 2-Isopropyltioxanthone | A830425 | ISOPROPYL THIOXANTHONE [INCI] | N

Spezifikationen & Reinheit

Moligand™, ≥98%(GC)

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Note

Moligand™

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504755395

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755395

Kanonisches Lächeln

CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

IUPAC Name

2-propan-2-ylthioxanthen-9-one

InChIKey

KTALPKYXQZGAEG-UHFFFAOYSA-N

INCHI

1S/C16H14OS/c1-10(2)11-7-8-15-13(9-11)16(17)12-5-3-4-6-14(12)18-15/h3-10H,1-2H3

Isomere SMILES

CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

WGK Deutschland

3

Molekulargewicht

254.35

Reaxy-Rn

1575754

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1575754&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thiochromenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiochromenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiochromenes
• Alternative Parents: 1-benzothiopyrans Benzenoids Heteroaromatic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in toluene
• Empfindlichkeit: Light sensitive.
• Schmelzpunkt (°C): 76 °C
• Molekulargewicht: 254.300 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 254.077 Da
• Monoisotopic Mass: 254.077 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 325.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1