6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzothiazole

6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzothiazole

CAS: 346691-90-5

Formula: C18H18BrN3S

SMILES: CN1CCN(CC1)C1=CC=C(C=C1)C1=NC2=CC=C(Br)C=C2S1

IUPAC: 6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzothiazole

InChI: InChI=1S/C18H18BrN3S/c1-21-8-10-22(11-9-21)15-5-2-13(3-6-15)18-20-16-7-4-14(19)12-17(16)23-18/h2-7,12H,8-11H2,1H3

Composition: C (55.67%), H (4.67%), Br (20.58%), N (10.82%), S (8.26%)

Molar Mass: 388.33

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	387.040482
Formal Charge	0
FSP3	0.28
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CLTHVXHFUZWNAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.33
Topological Polar Surface Area	19.37
Polarizability	39.69
Ring Count	4
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	346691-90-5		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69