(5S,6S)-6-(4-hydroxyphenyl)-6-methyl-5-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8-dihydro-5H-naphthalen-2-ol

Base Information

• Chemical Name: (5S,6S)-6-(4-hydroxyphenyl)-6-methyl-5-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8-dihydro-5H-naphthalen-2-ol
• CAS No.: 101908-22-9
• Molecular Formula: C31H41 F5 O3 S
• Molecular Weight: 0
• UNII: FS0623KTD8
• DSSTox Substance ID: DTXSID5044071
• Nikkaji Number: J1.655.996B
• Wikidata: Q27278155
• Mol file: 101908-22-9.mol

Synonyms:(1RS,2RS)-2-(4-hydroxyphenyl)-2-methyl-1-(9-(4,4,5,5,5-pentafluoropentyl)sulfinylnonyl)-1,2,3,4-tetrahydronaphth-6-ol;(5S,6S)-6-(4-hydroxyphenyl)-6-methyl-5-(9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl)-7,8-dihydro-5H-naphthalen-2-ol;ZM 189,154;ZM 189154;ZM-189154

Chemical Property of (5S,6S)-6-(4-hydroxyphenyl)-6-methyl-5-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8-dihydro-5H-naphthalen-2-ol

Chemical Property:

• Vapor Pressure: 3.91E-18mmHg at 25°C
• Boiling Point: 662°C at 760 mmHg
• Flash Point: 354.2°C
• PSA: 76.74000
• Density: 1.205g/cm³
• LogP: 9.79850
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 15
• Exact Mass: 588.26965715
• Heavy Atom Count: 40
• Complexity: 771

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C(C1CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C2)O)C3=CC=C(C=C3)O
• Isomeric SMILES: C[C@@]1(CCC2=C([C@H]1CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)C=CC(=C2)O)C3=CC=C(C=C3)O