Tipentosin

Base Information

• Chemical Name: Tipentosin
• CAS No.: 95588-08-2
• Molecular Formula: C21H25NO3S
• Molecular Weight: 371.499
• UNII: 1E3N5X9H1Y
• Wikidata: Q27252311
• NCI Thesaurus Code: C152644
• ChEMBL ID: CHEMBL2111148
• Mol file: 95588-08-2.mol

Synonyms:6,7-dihydro-5-(((2-hydroxy-3-phenoxycyclopentyl)amino)methyl)-2-methylbenzo(b)thiophen-4(5H)-one;MDL 19744A;MDL 19744A, (+-)-isomer;MDL-19,744A

Chemical Property of Tipentosin

Chemical Property:

• PSA: 86.80000
• LogP: 3.75300
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 371.15551483
• Heavy Atom Count: 26
• Complexity: 496

Purity/Quality:

99% ^*data from raw suppliers

TIPENTOSIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=CC=C4
• Isomeric SMILES: CC1=CC2=C(S1)CCC(C2=O)CN[C@H]3CC[C@@H]([C@H]3O)OC4=CC=CC=C4