Methyl 4-thiocyanatobutanoate

Base Information

• Chemical Name: Methyl 4-thiocyanatobutanoate
• CAS No.: 79203-77-3
• Molecular Formula: C6H9NO2S
• Molecular Weight: 159.20616
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00681818
• Wikidata: Q82605981
• Mol file: 79203-77-3.mol

Synonyms:METHYL 4-THIOCYANATOBUTANOATE;79203-77-3;Methyl 4-(thiocyanato)butanoate;DTXSID00681818;METHYL4-THIOCYANATOBUTANOATE;MFCD15143541;AKOS006333277;METHYL 4-(CYANOSULFANYL)BUTANOATE;BS-23626;CS-0208578;A864894

Chemical Property of Methyl 4-thiocyanatobutanoate

Chemical Property:

• PSA: 75.39000
• LogP: 1.15388
• Storage Temp.: Room temperature.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 159.03539970
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

≥95% ^*data from raw suppliers

Methyl4-Thiocyanatobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCSC#N