2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

Formula: C18H12BrNO4S2

SMILES: COC1=CC(C=C2SC(=S)NC2=O)=CC=C1OC(=O)C1=CC=CC(Br)=C1

IUPAC: 2-methoxy-4-{[(5E)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-bromobenzoate

InChI: InChI=1S/C18H12BrNO4S2/c1-23-14-7-10(8-15-16(21)20-18(25)26-15)5-6-13(14)24-17(22)11-3-2-4-12(19)9-11/h2-9H,1H3,(H,20,21,25)/b15-8+

Composition: C (48.01%), H (2.69%), Br (17.74%), N (3.11%), O (14.21%), S (14.24%)

Molar Mass: 450.32

Atom Count: 38

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.939113
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UETYANIPUIFCRE-OVCLIPMQSA-N
Lipinski's Rule of Five
Molar Refractivity	110.1
Topological Polar Surface Area	64.63
Polarizability	41.91
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H12BrNO4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00