Xenthiorate

Base Information

• Chemical Name: Xenthiorate
• CAS No.: 7009-79-2
• Molecular Formula: C22H29NOS
• Molecular Weight: 355.5368
• UNII: 0PM0Q96HVS
• DSSTox Substance ID: DTXSID60863991
• Nikkaji Number: J8.886B
• Wikidata: Q27237070
• NCI Thesaurus Code: C66665
• ChEMBL ID: CHEMBL2106490
• Mol file: 7009-79-2.mol

Synonyms:Xenthiorate;7009-79-2;Xenthiorate [INN];Xenthiorato;Xenthioratum;UNII-0PM0Q96HVS;0PM0Q96HVS;S-2-Diethylaminoethyl 2-(4-biphenylyl)thiobutyrate;(1,1'-Biphenyl)-4-ethanethioic acid, alpha-ethyl-, S-(2-(diethylamino)ethyl) ester;S-2-Diethylaminoethyl 2-(4-biphenyl)thiobutyrate;4-Biphenylacetic acid, alpha-ethylthio-, S-(2-(diethylamino)ethyl) ester;CHEMBL2106490;DTXSID60863991;AKOS040754451;Q27237070;S-[2-(diethylamino)ethyl] 2-(4-phenylphenyl)butanethioate;S-[2-(Diethylamino)ethyl] 2-([1,1'-biphenyl]-4-yl)butanethioate;4-Biphenylacetic acid, .alpha.-ethylthio-, S-[2-(diethylamino)ethyl] ester;[1,1'-Biphenyl]-4-ethanethioic acid, .alpha.-ethyl-, S-[2-(diethylamino)ethyl] ester

Chemical Property of Xenthiorate

Chemical Property:

• Vapor Pressure: 3.91E-09mmHg at 25°C
• Boiling Point: 473.5°Cat760mmHg
• Flash Point: 240.2°C
• PSA: 45.61000
• Density: 1.049g/cm³
• LogP: 5.44880
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 355.19698572
• Heavy Atom Count: 25
• Complexity: 368

Purity/Quality:

99% ^*data from raw suppliers

XENTHIORATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)SCCN(CC)CC