2-[4-[[4-(Chloromethyl)Phenyl]Carbamothioylamino]Phenoxy]-N,N-Dicyclohexylacetamide
[CAS# 76870-16-1]

Identification

• Name: 2-[4-[[4-(Chloromethyl)Phenyl]Carbamothioylamino]Phenoxy]-N,N-Dicyclohexylacetamide
• Synonyms: 2-[4-[[4-(Chloromethyl)Phenyl]Carbamothioylamino]Phenoxy]-N,N-Dicyclohexyl-Acetamide; 2-[4-[[[[4-(Chloromethyl)Phenyl]Amino]-Thioxomethyl]Amino]Phenoxy]-N,N-Dicyclohexylacetamide; 2-[4-[[4-(Chloromethyl)Phenyl]Thiocarbamoylamino]Phenoxy]-N,N-Dicyclohexyl-Acetamide
• Molecular Formula: C₂₈H₃₆ClN₃O₂S
• Molecular Weight: 514.12
• CAS Registry Number: 76870-16-1
• SMILES: C3=C(OCC(=O)N(C1CCCCC1)C2CCCCC2)C=CC(=C3)NC(=S)NC4=CC=C(C=C4)CCl
• InChI: 1S/C28H36ClN3O2S/c29-19-21-11-13-22(14-12-21)30-28(35)31-23-15-17-26(18-16-23)34-20-27(33)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h11-18,24-25H,1-10,19-20H2,(H2,30,31,35)
• InChIKey: ZJPMAJXLLZZWRD-UHFFFAOYSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 669.897°C at 760 mmHg (Cal.)
• Flash point: 358.941°C (Cal.)