Diethyl 2-isothiocyanatoglutarate

Base Information

• Chemical Name: Diethyl 2-isothiocyanatoglutarate
• CAS No.: 58560-28-4
• Molecular Formula: C10H15 N O4 S
• Molecular Weight: 245.2954
• Hs Code.: 2930909090
• European Community (EC) Number: 674-300-0
• DSSTox Substance ID: DTXSID20974113
• Mol file: 58560-28-4.mol

Synonyms:Diethyl 2-isothiocyanatoglutarate;58560-28-4;Diethyl 2-isothiocyanatopentanedioate;Diethyl L-2-isothiocyantoglutarate;Pentanedioic acid, 2-isothiocyanato-, diethyl ester;Diethyl 2-isothiocyantoglutarate;DTXSID20974113;BEIMBFWLTYKYLU-UHFFFAOYSA-N;Diethyl 2-isothiocyanatopentanedioate #;Diethyl N-(sulfanylidenemethylidene)glutamate;FT-0682082;2-isothiocyanatopentanedioic acid diethyl ester;2-Isothiocyanato-pentanedioic acid diethyl ester;Glutaric acid, 2-isothiocyanato-, diethyl ester;A831925

Chemical Property of Diethyl 2-isothiocyanatoglutarate

Chemical Property:

• Vapor Pressure: 0.00019mmHg at 25°C
• Boiling Point: 328.4°C at 760 mmHg
• Flash Point: 152.4°C
• PSA: 97.05000
• Density: 1,14 g/cm3
• LogP: 1.36420
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 245.07217913
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

98% ^*data from raw suppliers

DIETHYL L-2-ISOTHIOCYANATO GLUTARATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(C(=O)OCC)N=C=S