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

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

Formula: C13H9NO5S2

SMILES: OC(=O)CN1C(=S)SC(=CC2=CC=CC=C2C(O)=O)C1=O

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

InChI: InChI=1S/C13H9NO5S2/c15-10(16)6-14-11(17)9(21-13(14)20)5-7-3-1-2-4-8(7)12(18)19/h1-5H,6H2,(H,15,16)(H,18,19)/b9-5+

Composition: C (48.29%), H (2.81%), N (4.33%), O (24.74%), S (19.83%)

Molar Mass: 323.34

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.992214742
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	SCLUBSIOAGDLQL-WEVVVXLNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.45
Topological Polar Surface Area	94.91
Polarizability	31.07
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9NO5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00