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105685-43-6 | Benzothiazole, 4-(1-piperazinyl)- (9CI)
CAS No: 105685-43-6 Catalog No: AG009KHK MDL No:
Product Description
Catalog Number:
AG009KHK
Chemical Name:
Benzothiazole, 4-(1-piperazinyl)- (9CI)
CAS Number:
105685-43-6
IUPAC Name:
4-piperazin-1-yl-1,3-benzothiazole
InChI:
InChI=1S/C11H13N3S/c1-2-9(14-6-4-12-5-7-14)11-10(3-1)15-8-13-11/h1-3,8,12H,4-7H2
InChI Key:
SBFDRFAVCUTPAM-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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