1-Isothiocyanato-9-(methylsulfinyl)nonane

Base Information

• Chemical Name: 1-Isothiocyanato-9-(methylsulfinyl)nonane
• CAS No.: 75272-82-1
• Molecular Formula: C11H21NOS2
• Molecular Weight: 247.42
• DSSTox Substance ID: DTXSID601345837
• Nikkaji Number: J2.914.874K
• Wikidata: Q104250838

Synonyms:Arabin;1-isothiocyanato-9-(methylsulfinyl)nonane;75272-82-1;1-isothiocyanato-9-methylsulfinylnonane;1-isothiocyanato-9-methanesulfinylnonane;1-Isothiocyanato-9-(methylsulfinyl)-nonane;SCHEMBL1606718;CHEBI:138768;DTXSID601345837;9-(Methylsulfinyl)nonyl isothiocyanate

Chemical Property of 1-Isothiocyanato-9-(methylsulfinyl)nonane

Chemical Property:

• PSA: 80.73000
• LogP: 4.06410
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 247.10645664
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Arabin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)CCCCCCCCCN=C=S

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