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1048915-80-5 | (4-(5-chloro-2-methylphenyl)piperazinyl)((methylpropyl)amino)methane-1-thione
CAS No: 1048915-80-5 Catalog No: AG01FOLG MDL No:
Product Description
Catalog Number:
AG01FOLG
Chemical Name:
(4-(5-chloro-2-methylphenyl)piperazinyl)((methylpropyl)amino)methane-1-thione
CAS Number:
1048915-80-5
IUPAC Name:
N-butan-2-yl-4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide
InChI:
InChI=1S/C16H24ClN3S/c1-4-13(3)18-16(21)20-9-7-19(8-10-20)15-11-14(17)6-5-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,18,21)
InChI Key:
VDJGRKQNJXQQPJ-UHFFFAOYSA-N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.899g/mol
Monoisotopic Mass:
325.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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