2-(4-Isothiocyanatophenyl)-5-nonyl-1,3-dioxane

Base Information

• Chemical Name: 2-(4-Isothiocyanatophenyl)-5-nonyl-1,3-dioxane
• CAS No.: 97108-30-0
• Molecular Formula: C20H29NO2S
• DSSTox Substance ID: DTXSID10559175
• Nikkaji Number: J950.323D

Synonyms:97108-30-0;2-(4-Isothiocyanatophenyl)-5-nonyl-1,3-dioxane;SCHEMBL10801314;SCHEMBL10866234;DTXSID10559175

Chemical Property of 2-(4-Isothiocyanatophenyl)-5-nonyl-1,3-dioxane

Chemical Property:

• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 347.19190034
• Heavy Atom Count: 24
• Complexity: 368

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1COC(OC1)C2=CC=C(C=C2)N=C=S

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