Methiothepin maleate

Base Information

• Chemical Name: Methiothepin maleate
• CAS No.: 20229-30-5
• Molecular Formula: C20H24 N2 S2
• Molecular Weight: 472.62
• Hs Code.: 2934999090
• NSC Number: 759875,281816
• UNII: LVP2XBC3GA
• DSSTox Substance ID: DTXSID8042630
• Wikidata: Q27133119
• ChEMBL ID: CHEMBL1358918
• Mol file: 20229-30-5.mol

Synonyms:Maleate, Methiothepin;Methiothepin;Methiothepin Maleate;Methiothepine;Metitepine

Chemical Property of Methiothepin maleate

Chemical Property:

• Vapor Pressure: 9.49E-09mmHg at 25°C
• Melting Point: 88-89°
• Boiling Point: 462.9°Cat760mmHg
• Flash Point: 233.8°C
• PSA: 119.83000
• Density: 1.25g/cm³
• LogP: 4.86490
• Storage Temp.: Store at RT
• Solubility.: H2O: 13 mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 472.14904973
• Heavy Atom Count: 32
• Complexity: 529

Purity/Quality:

99% ^*data from raw suppliers

Methiothepin maleate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C(=C\C(=O)O)\C(=O)O
• Uses: 5HT1&2 receptor antagonist