(E)-2-Chloro-6-methoxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen sulfate hemihydrate
[CAS# 77602-64-3]

Identification

• Name: (E)-2-Chloro-6-methoxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen sulfate hemihydrate
• Synonyms: (3E)-3-(2-Chloro-6-Methoxy-Thioxanthen-9-Ylidene)-N,N-Dimethyl-Propan-1-Amine; Sulfuric Acid; (3E)-3-(2-Chloro-6-Methoxy-9-Thioxanthenylidene)-N,N-Dimethylpropan-1-Amine; Sulfuric Acid; [(3E)-3-(2-Chloro-6-Methoxy-Thioxanthen-9-Ylidene)Propyl]-Dimethyl-Amine; Sulfuric Acid
• Molecular Formula: C₁₉H₂₂ClNO₅S₂
• Molecular Weight: 443.96
• CAS Registry Number: 77602-64-3
• SMILES: C1=C(Cl)C=CC2=C1\C(C3=C(S2)C=C(OC)C=C3)=C\CCN(C)C.O=[S](=O)(O)O
• InChI: 1S/C19H20ClNOS.H2O4S/c1-21(2)10-4-5-15-16-8-7-14(22-3)12-19(16)23-18-9-6-13(20)11-17(15)18;1-5(2,3)4/h5-9,11-12H,4,10H2,1-3H3;(H2,1,2,3,4)/b15-5+
• InChIKey: GRIFEICCZHQXIA-GBDQXREISA-N

Properties

• Boiling point: 467.8°C at 760 mmHg (Cal.)
• Flash point: 236.7°C (Cal.)