VUFB-10675
(3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;sulfuric acid
Also Known As: C19H20ClNOS.H2O4S.1/2H2O|1-Propanamine, 3-(2-chloro-6-methoxy-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (E)-, sulfate, hydrate (2:2:1)|C19-H20-Cl-N-O-S.H2-O4-S.1/2H2-O|(E)-2-Chloro-6-methoxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen sulfate hemihydrate|(3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine,sulfuric acid|(3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine; sulfuric acid|Sulfuric acid--(3E)-3-(2-chloro-6-methoxy-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine (1/1)
| Molecular Formula | C19H22ClNO5S2 |
|---|---|
| Molecular Weight | 443.0628 g/mol |
| LogP | 4.5438 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.0628 |
| Monoisotopic Mass | 443.0628 |
| Heavy Atoms | 28 |
| Complexity | 966.2844 |
Chemical Identifiers
| CAS Number | 77602-64-3 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=C(C=C(C=C2)OC)SC3=C1C=C(C=C3)Cl.OS(=O)(=O)O |
Product Overview
VUFB-10675 (CAS 77602-64-3), with molecular formula C19H22ClNO5S2 and molecular weight 443.0628 g/mol. IUPAC: (3E)-3-(2-chloro-6-methoxythioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;sulfuric acid.
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