2-[(5E)-4-oxo-5-[(phenylamino)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

2-[(5E)-4-oxo-5-[(phenylamino)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula: C13H12N2O3S2

SMILES: CC(N1C(=S)SC(=CNC2=CC=CC=C2)C1=O)C(O)=O

IUPAC: 2-[(5E)-4-oxo-5-[(phenylamino)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

InChI: InChI=1/C13H12N2O3S2/c1-8(12(17)18)15-11(16)10(20-13(15)19)7-14-9-5-3-2-4-6-9/h2-8,14H,1H3,(H,17,18)/b10-7+

Composition: C (50.63%), H (3.92%), N (9.08%), O (15.56%), S (20.79%)

Molar Mass: 308.37

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	308.028934602
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UVVSUPAFRDSLTD-JXMROGBWNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.89
Topological Polar Surface Area	69.64
Polarizability	31.67
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H12N2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00