2-Hydroxy-9H-thioxanthen-9-one - ≥95% , CAS No.31696-67-0

CAS: 31696-67-0 Cat. No.: H588700 Formula: C₁₃H₈O₂S Peso molecolare: 228.27 Numero EC: 815-134-2

GRADE & PURITY ≥95%

Synonyms

2-hydroxy-thioxanthen-9-on | MFCD02068912 | AKOS022656614 | SCHEMBL44047 | 9H-Thioxanthen-9-one, 2-hydroxy- | ANHLDZMOXDYFMQ-UHFFFAOYSA-N | F18217 | 2-hydroxythioxanthen-9-one | AS-61054 | 2-hydroxy-9H-thioxanthen-9-one | EN300-6482807 | 2-hydroxythioxant

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

2-hydroxy-thioxanthen-9-on | MFCD02068912 | AKOS022656614 | SCHEMBL44047 | 9H-Thioxanthen-9-one, 2-hydroxy- | ANHLDZMOXDYFMQ-UHFFFAOYSA-N | F18217 | 2-hydroxythioxanthen-9-one | AS-61054 | 2-hydroxy-9H-thioxanthen-9-one | EN300-6482807 | 2-hydroxythioxant

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508808515
• Sorrisi canonici: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)O
• IUPAC Name: 2-hydroxythioxanthen-9-one
• InChIKey: ANHLDZMOXDYFMQ-UHFFFAOYSA-N
• INCHI: 1S/C13H8O2S/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H
• Isomeri SMILES: C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)O
• Peso molecolare: 228.27
• Reaxy-Rn: 172490
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=172490&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiochromenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiochromenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiochromenes
• Alternative Parents: 1-benzothiopyrans 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thiochromene - 1-benzothiopyran - Benzothiopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 228.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 228.025 Da
• Monoisotopic Mass: 228.025 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 292.000
• 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