2-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]-4-bromophenyl benzenesulfonate

2-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]-4-bromophenyl benzenesulfonate

Formula: C22H13BrN2O3S2

SMILES: BrC1=CC=C(OS(=O)(=O)C2=CC=CC=C2)C(C=C(/C#N)C2=NC3=CC=CC=C3S2)=C1

IUPAC: 2-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]-4-bromophenyl benzenesulfonate

InChI: InChI=1S/C22H13BrN2O3S2/c23-17-10-11-20(28-30(26,27)18-6-2-1-3-7-18)15(13-17)12-16(14-24)22-25-19-8-4-5-9-21(19)29-22/h1-13H/b16-12+

Composition: C (53.13%), H (2.63%), Br (16.06%), N (5.63%), O (9.65%), S (12.89%)

Molar Mass: 497.38

Atom Count: 43

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	495.955098
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OWOMJNYTRUHPOU-FOWTUZBSSA-N
Lipinski's Rule of Five
Molar Refractivity	119.54
Topological Polar Surface Area	80.05
Polarizability	47.46
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H13BrN2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00