Glycine, N-(vanillylthiocarbamoyl)-, butyl ester

Base Information

• Chemical Name: Glycine, N-(vanillylthiocarbamoyl)-, butyl ester
• CAS No.: 101516-99-8
• Molecular Formula: C15H22 N2 O4 S
• Molecular Weight: 326.41118
• DSSTox Substance ID: DTXSID70143978
• Nikkaji Number: J75.758F
• Wikidata: Q83008050
• Mol file: 101516-99-8.mol

Synonyms:Glycine, N-(vanillylthiocarbamoyl)-, butyl ester;101516-99-8;N-(Vanillylthiocarbamoyl)glycine butyl ester;butyl 2-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]acetate;1-Carbobutoxymethyl-3-vanillyl-2-thiourea;DTXSID70143978;LS-72895

Chemical Property of Glycine, N-(vanillylthiocarbamoyl)-, butyl ester

Chemical Property:

• Vapor Pressure: 1.17E-09mmHg at 25°C
• Boiling Point: 475.3°Cat760mmHg
• Flash Point: 241.2°C
• PSA: 118.95000
• Density: 1.209g/cm³
• LogP: 2.51040
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 326.13002836
• Heavy Atom Count: 22
• Complexity: 354

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CNC(=S)NCC1=CC(=C(C=C1)O)OC