5-(Methylthio)-2,3-dioxopentyl phosphate

Base Information

• Chemical Name: 5-(Methylthio)-2,3-dioxopentyl phosphate
• CAS No.: 115974-73-7
• Molecular Formula: C6H11 O6 P S
• Molecular Weight: 242.19
• DSSTox Substance ID: DTXSID00151248
• Nikkaji Number: J2.178.133I
• Wikidata: Q27122137
• Metabolomics Workbench ID: 57466
• Mol file: 115974-73-7.mol

Synonyms:1-PDMSP;1-phospho-2,3-diketo-5-S-methylthiopentane

Chemical Property of 5-(Methylthio)-2,3-dioxopentyl phosphate

Chemical Property:

• Vapor Pressure: 5.57E-08mmHg at 25°C
• Boiling Point: 413.1°Cat760mmHg
• PKA: 1.56±0.10(Predicted)
• Flash Point: 203.6°C
• PSA: 136.01000
• Density: 1.501g/cm³
• LogP: -0.01300
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 242.00139624
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC(=O)C(=O)COP(=O)(O)O