2-[2-({2-[3-(3-methylphenoxy)propoxy]-5-nitrophenyl}methyl)diazen-1-yl]-1,3-benzothiazole

2-[2-({2-[3-(3-methylphenoxy)propoxy]-5-nitrophenyl}methyl)diazen-1-yl]-1,3-benzothiazole

Formula: C24H22N4O4S

SMILES: CC1=CC=CC(OCCCOC2=CC=C(C=C2CN=NC2=NC3=CC=CC=C3S2)[N+]([O-])=O)=C1

IUPAC: 2-[2-({2-[3-(3-methylphenoxy)propoxy]-5-nitrophenyl}methyl)diazen-1-yl]-1,3-benzothiazole

InChI: InChI=1S/C24H22N4O4S/c1-17-6-4-7-20(14-17)31-12-5-13-32-22-11-10-19(28(29)30)15-18(22)16-25-27-24-26-21-8-2-3-9-23(21)33-24/h2-4,6-11,14-15H,5,12-13,16H2,1H3

Composition: C (62.32%), H (4.79%), N (12.11%), O (13.84%), S (6.93%)

Molar Mass: 462.52

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	462.136176378
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	RHDMNHSXEMGTEA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.98
Topological Polar Surface Area	99.21
Polarizability	48.85
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H22N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00