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

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

Formula: C19H15NO5S2

SMILES: COC1=CC(C=C2SC(=S)NC2=O)=CC=C1OCC1=CC=C(C=C1)C(O)=O

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

InChI: InChI=1S/C19H15NO5S2/c1-24-15-8-12(9-16-17(21)20-19(26)27-16)4-7-14(15)25-10-11-2-5-13(6-3-11)18(22)23/h2-9H,10H2,1H3,(H,22,23)(H,20,21,26)/b16-9+

Composition: C (56.85%), H (3.77%), N (3.49%), O (19.93%), S (15.97%)

Molar Mass: 401.45

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.039164935
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ZGECIUVJADIBAS-CXUHLZMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.01
Topological Polar Surface Area	84.86
Polarizability	41.43
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15NO5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00