3-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

3-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Formula: C19H15NO5S2

SMILES: COC1=CC=C(OC)C(C=C2/SC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=C1

IUPAC: 3-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

InChI: InChI=1S/C19H15NO5S2/c1-24-14-6-7-15(25-2)12(9-14)10-16-17(21)20(19(26)27-16)13-5-3-4-11(8-13)18(22)23/h3-10H,1-2H3,(H,22,23)/b16-10-

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	1
InChIKey	YJHDOJNSKXWQFT-YBEGLDIGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.07
Topological Polar Surface Area	76.07
Polarizability	41.43
Ring Count	3
Rotatable Bond Count	5

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