3-(2-Chloroethyl)-1-[(7S)-1,2,3-Trimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[d]Heptalen-7-Yl]Urea
[CAS# 75776-08-8]

Identification

• Name: 3-(2-Chloroethyl)-1-[(7S)-1,2,3-Trimethoxy-10-Methylsulfanyl-9-Oxo-6,7-Dihydro-5H-Benzo[d]Heptalen-7-Yl]Urea
• Synonyms: 3-(2-Chloroethyl)-1-[(7S)-1,2,3-Trimethoxy-10-(Methylthio)-9-Oxo-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Urea; 3-(2-Chloroethyl)-1-[(7S)-9-Keto-1,2,3-Trimethoxy-10-(Methylthio)-6,7-Dihydro-5H-Benzo[D]Heptalen-7-Yl]Urea; Nsc249286
• Molecular Formula: C₂₃H₂₇ClN₂O₅S
• Molecular Weight: 478.99
• CAS Registry Number: 75776-08-8
• SMILES: [C@H]3(C1=CC(=O)C(=CC=C1C2=C(C=C(C(=C2OC)OC)OC)CC3)SC)NC(NCCCl)=O
• InChI: 1S/C23H27ClN2O5S/c1-29-18-11-13-5-7-16(26-23(28)25-10-9-24)15-12-17(27)19(32-4)8-6-14(15)20(13)22(31-3)21(18)30-2/h6,8,11-12,16H,5,7,9-10H2,1-4H3,(H2,25,26,28)/t16-/m0/s1
• InChIKey: JAWNITNZPHEEQL-INIZCTEOSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 781.557°C at 760 mmHg (Cal.)
• Flash point: 426.47°C (Cal.)