2-bromo-6-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-fluorobenzoate

2-bromo-6-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-fluorobenzoate

Formula: C18H11BrFNO4S2

SMILES: COC1=CC(C=C2/SC(=S)NC2=O)=CC(Br)=C1OC(=O)C1=CC=CC=C1F

IUPAC: 2-bromo-6-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-fluorobenzoate

InChI: InChI=1S/C18H11BrFNO4S2/c1-24-13-7-9(8-14-16(22)21-18(26)27-14)6-11(19)15(13)25-17(23)10-4-2-3-5-12(10)20/h2-8H,1H3,(H,21,22,26)/b14-8-

Composition: C (46.17%), H (2.37%), Br (17.06%), F (4.06%), N (2.99%), O (13.67%), S (13.69%)

Molar Mass: 468.31

Atom Count: 38

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	466.929691
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XNOSDONUVNZBLG-ZSOIEALJSA-N
Lipinski's Rule of Five
Molar Refractivity	110.32
Topological Polar Surface Area	64.63
Polarizability	41.69
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H11BrFNO4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00