5-{N'-[(2E)-3-ethyl-1,3-benzothiazol-2-ylidene]hydrazinesulfonyl}-2-(octadecyloxy)benzoic acid

5-{N'-[(2E)-3-ethyl-1,3-benzothiazol-2-ylidene]hydrazinesulfonyl}-2-(octadecyloxy)benzoic acid

Formula: C34H51N3O5S2

SMILES: CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1C(O)=O)S(=O)(=O)NN=C1SC2=CC=CC=C2N1CC

IUPAC: 5-{N'-[(2E)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]hydrazinesulfonyl}-2-(octadecyloxy)benzoic acid

InChI: InChI=1S/C34H51N3O5S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-42-31-25-24-28(27-29(31)33(38)39)44(40,41)36-35-34-37(4-2)30-22-19-20-23-32(30)43-34/h19-20,22-25,27,36H,3-18,21,26H2,1-2H3,(H,38,39)/b35-34+

Composition: C (63.22%), H (7.96%), N (6.51%), O (12.38%), S (9.93%)

Molar Mass: 645.92

Atom Count: 95

Heavy Atom Count: 44

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	645.327014102
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	XXUHIDXFLTXSPO-XAHDOWKMSA-N
Lipinski's Rule of Five
Molar Refractivity	182.37
Topological Polar Surface Area	108.3
Polarizability	71.06
Ring Count	3
Rotatable Bond Count	22

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C34H51N3O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00