Isalsteine

Base Information

• Chemical Name: Isalsteine
• CAS No.: 116818-99-6
• Molecular Formula: C14H15 N O6 S
• Molecular Weight: 325.34
• UNII: K0YPY57FUQ
• DSSTox Substance ID: DTXSID10869605
• Wikidata: Q27281800
• NCI Thesaurus Code: C65967
• ChEMBL ID: CHEMBL2104804
• Mol file: 116818-99-6.mol

Synonyms:Isalsteine;Isalsteine [INN];116818-99-6;UNII-K0YPY57FUQ;K0YPY57FUQ;2-[2-[(2-methyl-4-oxo-1,3-benzodioxin-2-yl)sulfanyl]propanoylamino]acetic acid;SCHEMBL636271;CHEMBL2104804;DTXSID10869605;Q27281800;(+-)-N-(2-((2-Methyl-4-oxo-1,3-benzodioxan-2-yl)thio)propionyl)glycine;(- )-N-(2-((2-Methyl-4-oxo-1,3-benzodioxan-2-yl)thio)propionyl)glycine.;(+/-)-N-(2-((2-METHYL-4-OXO-1,3-BENZODIOXAN-2-YL)THIO)PROPIONYL)GLYCINE;N-{2-[(2-Methyl-4-oxo-2H,4H-1,3-benzodioxin-2-yl)sulfanyl]propanoyl}glycine

Chemical Property of Isalsteine

Chemical Property:

• Vapor Pressure: 9.14E-18mmHg at 25°C
• Boiling Point: 649.7°Cat760mmHg
• Flash Point: 346.7°C
• PSA: 127.23000
• Density: 1.44g/cm³
• LogP: 1.62290
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 325.06200837
• Heavy Atom Count: 22
• Complexity: 470

Purity/Quality:

99% ^*data from raw suppliers

ISALSTEINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NCC(=O)O)SC1(OC2=CC=CC=C2C(=O)O1)C