7-Amino-4-Chloro-3-(3-Isothioureidopropoxy)Isocoumarin
[CAS# 113251-07-3]

Identification

• Name: 7-Amino-4-Chloro-3-(3-Isothioureidopropoxy)Isocoumarin
• Synonyms: 3-(7-Amino-4-Chloro-1-Oxo-Isochromen-3-Yl)Oxypropylsulfanylformamidine; [3-[(7-Amino-4-Chloro-1-Oxo-3-Isochromenyl)Oxy]Propylthio]Formamidine; [3-(7-Amino-4-Chloro-1-Keto-Isochromen-3-Yl)Oxypropylthio]Formamidine
• Molecular Formula: C₁₃H₁₄ClN₃O₃S
• Molecular Weight: 327.78
• CAS Registry Number: 113251-07-3
• SMILES: C1=C(N)C=CC2=C1C(OC(=C2Cl)OCCCSC(=N)N)=O
• InChI: 1S/C13H14ClN3O3S/c14-10-8-3-2-7(15)6-9(8)11(18)20-12(10)19-4-1-5-21-13(16)17/h2-3,6H,1,4-5,15H2,(H3,16,17)
• InChIKey: IYKLQEMQEGWXOQ-UHFFFAOYSA-N

Properties

• Density: 1.566g/cm³ (Cal.)
• Boiling point: 588.798°C at 760 mmHg (Cal.)
• Flash point: 309.894°C (Cal.)