Thiomarinol A

Base Information

• Chemical Name: Thiomarinol A
• CAS No.: 146697-04-3
• Molecular Formula: C30H44N2O9S2
• Molecular Weight: 640.81
• DSSTox Substance ID: DTXSID601098553
• Nikkaji Number: J680.555H
• Wikidata: Q27134758
• Mol file: 146697-04-3.mol

Synonyms:thiomarinol;thiomarinol A

Chemical Property of Thiomarinol A

Chemical Property:

• PSA: 238.64000
• LogP: 4.49400
• XLogP3: 2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 640.24882333
• Heavy Atom Count: 43
• Complexity: 1120

Purity/Quality:

99% ^*data from raw suppliers

THIOMARINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C=CCC1COC(C(C1O)O)C(C(=CC(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)C)O)C(C)O
• Isomeric SMILES: C[C@H](/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)[C@@H](/C(=C/C(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)/C)O)[C@H](C)O