Benzyl Isothiocyanate-d7

Base Information

• Chemical Name: Benzyl Isothiocyanate-d7
• CAS No.: 1246818-63-2
• Molecular Formula: C8H7NS
• Molecular Weight: 156.26
• Mol file: 1246818-63-2.mol

Synonyms:Benzyl Isothiocyanate-d7;1246818-63-2;1-[isothiocyanato(?H?)methyl](?H?)benzene;1,2,3,4,5-pentadeuterio-6-[dideuterio(isothiocyanato)methyl]benzene;HY-77813S;CS-0203184

Chemical Property of Benzyl Isothiocyanate-d7

Chemical Property:

• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.07385762
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

> 98% ^*data from raw suppliers

Benzyl Isothiocyanate-d7 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN=C=S
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])N=C=S)[2H])[2H]
• Uses: Labelled Benzyl isothiocyanate. A novel medical application of isothiocyanate ester in treating various leukemia, with low toxicity, which includes benzyl isothiocyanate, phenylethyl isothiocyanate, allyl isothiocyanate, sulforaphane, and erucin. Benzyl isothiocyanate (BITC) inhibits the growth of human pancreatic cancer cells by inducing apoptosis.