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Diethyl L-2-Isothiocyantoglutarate
[CAS# 58560-28-4]

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Identification
Name Diethyl L-2-Isothiocyantoglutarate
Synonyms 2-Isothiocyanatoglutaric Acid Diethyl Ester; Diethyl 2-Isothiocyanatopentanedioate; Diethyl 2-Isothiocyanatoglutarate
Molecular Structure CAS#: 58560-28-4, Diethyl L-2-Isothiocyantoglutarate
Molecular Formula C10H15NO4S
Molecular Weight 245.29
CAS Registry Number 58560-28-4
SMILES S=C=NC(C(OCC)=O)CCC(OCC)=O
InChI 1S/C10H15NO4S/c1-3-14-9(12)6-5-8(11-7-16)10(13)15-4-2/h8H,3-6H2,1-2H3
InChIKey BEIMBFWLTYKYLU-UHFFFAOYSA-N
Properties
Density 1.152g/cm3 (Cal.)
Boiling point 328.404°C at 760 mmHg (Cal.)
Flash point 152.414°C (Cal.)
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