2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanedioic acid

2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanedioic acid

Formula: C7H7NO5S2

SMILES: OC(=O)CC(N1C(=O)CSC1=S)C(O)=O

IUPAC: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanedioic acid

InChI: InChI=1/C7H7NO5S2/c9-4-2-15-7(14)8(4)3(6(12)13)1-5(10)11/h3H,1-2H2,(H,10,11)(H,12,13)

Composition: C (33.73%), H (2.83%), N (5.62%), O (32.09%), S (25.72%)

Molar Mass: 249.26

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	248.976564677
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	OSBIFROMLRRLRF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.04
Topological Polar Surface Area	94.91
Polarizability	21.89
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H7NO5S2		Quote Only