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

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

Formula: C15H15NO5S2

SMILES: COC1=CC(C=C2SC(=S)NC2=O)=CC=C1OCCCC(O)=O

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

InChI: InChI=1S/C15H15NO5S2/c1-20-11-7-9(8-12-14(19)16-15(22)23-12)4-5-10(11)21-6-2-3-13(17)18/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)(H,16,19,22)/b12-8+

Composition: C (50.98%), H (4.28%), N (3.96%), O (22.64%), S (18.14%)

Molar Mass: 353.41

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	353.039164935
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WEOJYEZJXFUJLU-XYOKQWHBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.68
Topological Polar Surface Area	84.86
Polarizability	35.58
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H15NO5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00