3-Dibenzo[b,e]Thiepin-11(6H)-Ylidene-N,N-Dimethylpropylamine S-Oxide
[CAS# 1447-71-8]

Identification

• Name: 3-Dibenzo[b,e]Thiepin-11(6H)-Ylidene-N,N-Dimethylpropylamine S-Oxide
• Synonyms: 6,11-Dihydro-11-(3-(Dimethylamino)Propylidene)-Dibenz(B,E)Thiepin 5-Oxide Succinate; Dibenz(B,E)Thiepin, 6,11-Dihydro-11-(3-(Dimethylamino)Propylidene)-, 5-Oxide, Su; Dibenz(B,E)Thiepin, 6,11-Dihydro-11-(3-(Dimethylamino)Propylidene)-, 5-Oxide, Succinate
• Molecular Formula: C₂₃H₂₇NO₅S
• Molecular Weight: 429.53
• CAS Registry Number: 1447-71-8
• EINECS: 215-902-1
• SMILES: C1=CC=CC2=C1\C(C3=C(C[S]2=O)C=CC=C3)=C/CC[NH+](C)C.C(C([O-])=O)CC(=O)O
• InChI: 1S/C19H21NOS.C4H6O4/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19;5-3(6)1-2-4(7)8/h3-6,8-12H,7,13-14H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/b17-11-
• InChIKey: IQVCARQEMAPBMD-CULRIWENSA-N

Properties

• Boiling point: 496.9°C at 760 mmHg (Cal.)
• Flash point: 254.3°C (Cal.)