D,L-Sulforaphane-d8

Base Information

• Chemical Name: D,L-Sulforaphane-d8
• CAS No.: 836682-32-7
• Molecular Formula: C6H11NOS2
• Molecular Weight: 185.3
• DSSTox Substance ID: DTXSID10464331
• Mol file: 836682-32-7.mol

Synonyms:D,L-Sulforaphane-d8;836682-32-7;1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinylbutane;DTXSID10464331;AKOS030254718;1-isothiocyanato-4-methanesulfinyl(?H?)butane

Chemical Property of D,L-Sulforaphane-d8

Chemical Property:

• Vapor Pressure: 2.75E-05mmHg at 25°C
• Storage Temp.: Amber Vial, Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 185.07842029
• Heavy Atom Count: 10
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

D,L-Sulforaphane-d8 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CS(=O)CCCCN=C=S
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])C([2H])([2H])S(=O)C)C([2H])([2H])N=C=S