(3aS-cis)-1,3-Dibenzyltetrahydro-4-(3-Methoxypropylidene)-1H-Thieno[3,4-d]Imidazol-2(3H)-One
[CAS# 28092-54-8]

Identification

• Name: (3aS-cis)-1,3-Dibenzyltetrahydro-4-(3-Methoxypropylidene)-1H-Thieno[3,4-d]Imidazol-2(3H)-One
• Synonyms: (3As,4E,6Ar)-1,3-Bis(Benzyl)-4-(3-Methoxypropylidene)-6,6A-Dihydro-3Ah-Thieno[4,3-D]Imidazol-2-One; (3As-Cis)-1,3-Dibenzyltetrahydro-4-(3-Methoxypropylidene)-1H-Thieno(3,4-D)Imidazol-2(3H)-One
• Molecular Formula: C₂₃H₂₆N₂O₂S
• Molecular Weight: 394.53
• CAS Registry Number: 28092-54-8
• EINECS: 248-835-1
• SMILES: [C@@H]12N(C(N([C@@H]1\C(SC2)=C/CCOC)CC3=CC=CC=C3)=O)CC4=CC=CC=C4
• InChI: 1S/C23H26N2O2S/c1-27-14-8-13-21-22-20(17-28-21)24(15-18-9-4-2-5-10-18)23(26)25(22)16-19-11-6-3-7-12-19/h2-7,9-13,20,22H,8,14-17H2,1H3/b21-13+/t20-,22-/m0/s1
• InChIKey: OTOVKAPQUJOUHD-ZQOFNOHESA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 589.048°C at 760 mmHg (Cal.)
• Flash point: 310.045°C (Cal.)