Sumarotene

Base Information

• Chemical Name: Sumarotene
• CAS No.: 105687-93-2
• Molecular Formula: C24H30 O2 S
• Molecular Weight: 382.5588
• UNII: 8896RX4S4J
• DSSTox Substance ID: DTXSID10883164
• Nikkaji Number: J561.835E,J3.081.050C
• Wikidata: Q27269909
• NCI Thesaurus Code: C74431
• ChEMBL ID: CHEMBL2105526
• Mol file: 105687-93-2.mol

Synonyms:Ro 14-9706;Ro-14-9706;sumarotene;sumarotene, (E)-isomer

Chemical Property of Sumarotene

Chemical Property:

• Vapor Pressure: 1.9E-10mmHg at 25°C
• Boiling Point: 521.3°Cat760mmHg
• Flash Point: 303.6°C
• PSA: 42.52000
• Density: 1.068g/cm³
• LogP: 7.08040
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 382.19665137
• Heavy Atom Count: 27
• Complexity: 657

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)S(=O)(=O)C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)S(=O)(=O)C)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
• Uses: Keratolytic.