Estrone-3-methylthiophosphonate

Base Information

• Chemical Name: Estrone-3-methylthiophosphonate
• CAS No.: 71142-69-3
• Molecular Formula: C19H25 O3 P S
• Molecular Weight: 364.44
• DSSTox Substance ID: DTXSID60991445
• Nikkaji Number: J523.558H
• ChEMBL ID: CHEMBL2367489,CHEMBL1628113
• Mol file: 71142-69-3.mol

Synonyms:E1-3-MTP;estrone-3-methylthiophosphonate

Chemical Property of Estrone-3-methylthiophosphonate

Chemical Property:

• Vapor Pressure: 1.52E-11mmHg at 25°C
• Boiling Point: 517.7°C at 760 mmHg
• Flash Point: 266.9°C
• PSA: 88.43000
• Density: 1.268g/cm³
• LogP: 5.07280
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 364.12620283
• Heavy Atom Count: 24
• Complexity: 579

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OP(=S)(C)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OP(=S)(C)O

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