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4-Isothiocyanatobenzoyl-DL-Homoserine Lactone
[CAS# 58394-58-4]

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Identification
Name 4-Isothiocyanatobenzoyl-DL-Homoserine Lactone
Synonyms 4-Isothiocyanato-N-(2-Oxotetrahydrofuran-3-Yl)Benzamide; 4-Isothiocyanato-N-(2-Oxo-3-Tetrahydrofuranyl)Benzamide; 4-Isothiocyanato-N-(2-Ketotetrahydrofuran-3-Yl)Benzamide
Molecular Structure CAS#: 58394-58-4, 4-Isothiocyanatobenzoyl-DL-Homoserine Lactone
Molecular Formula C12H10N2O3S
Molecular Weight 262.28
CAS Registry Number 58394-58-4
SMILES S=C=NC1=CC=C(C=C1)C(=O)NC2CCOC2=O
InChI 1S/C12H10N2O3S/c15-11(14-10-5-6-17-12(10)16)8-1-3-9(4-2-8)13-7-18/h1-4,10H,5-6H2,(H,14,15)
InChIKey WWUPAVIAPDIGCZ-UHFFFAOYSA-N
Properties
Density 1.395g/cm3 (Cal.)
Melting point 163-165°C (Expl.)
Boiling point 562.525°C at 760 mmHg (Cal.)
Flash point 294.005°C (Cal.)
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