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19146-90-8 | 9H-Thioxanthen-9-one, 6-chloro-1-[[2-(diethylamino)ethyl]methylamino]-4-methyl-
CAS No: 19146-90-8 Catalog No: AG002F8T MDL No:
Product Description
Catalog Number:
AG002F8T
Chemical Name:
9H-Thioxanthen-9-one, 6-chloro-1-[[2-(diethylamino)ethyl]methylamino]-4-methyl-
CAS Number:
19146-90-8
Molecular Formula:
C21H25ClN2OS
Molecular Weight:
388.9540
IUPAC Name:
6-chloro-1-[2-(diethylamino)ethyl-methylamino]-4-methylthioxanthen-9-one
InChI:
InChI=1S/C21H25ClN2OS/c1-5-24(6-2)12-11-23(4)17-10-7-14(3)21-19(17)20(25)16-9-8-15(22)13-18(16)26-21/h7-10,13H,5-6,11-12H2,1-4H3
InChI Key:
ZVYAMQUTDBIYFZ-UHFFFAOYSA-N
SMILES:
CCN(CCN(c1ccc(c2c1c(=O)c1c(s2)cc(cc1)Cl)C)C)CC
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.954g/mol
Monoisotopic Mass:
388.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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