3-(5-{[(5Z)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

3-(5-{[(5Z)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C18H11NO5S

SMILES: OC(=O)C1=CC(=CC=C1)C1=CC=C(O1)C=C1/SC(=O)N(CC#C)C1=O

IUPAC: 3-(5-{[(5Z)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

InChI: InChI=1S/C18H11NO5S/c1-2-8-19-16(20)15(25-18(19)23)10-13-6-7-14(24-13)11-4-3-5-12(9-11)17(21)22/h1,3-7,9-10H,8H2,(H,21,22)/b15-10-

Composition: C (61.19%), H (3.14%), N (3.96%), O (22.64%), S (9.07%)

Molar Mass: 353.35

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	353.035793632
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UIHIWXBPQAISNF-GDNBJRDFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.36
Topological Polar Surface Area	87.82
Polarizability	35.71
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H11NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00