3-{6-oxo-4-sulfanylidene-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraen-5-yl}propanoic acid

3-{6-oxo-4-sulfanylidene-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraen-5-yl}propanoic acid

Formula: C13H10N2O4S

SMILES: OC(=O)CCN1C(=S)NC2=C(OC3=C2C=CC=C3)C1=O

IUPAC: 3-{6-oxo-4-sulfanylidene-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraen-5-yl}propanoic acid

InChI: InChI=1S/C13H10N2O4S/c16-9(17)5-6-15-12(18)11-10(14-13(15)20)7-3-1-2-4-8(7)19-11/h1-4H,5-6H2,(H,14,20)(H,16,17)

Composition: C (53.79%), H (3.47%), N (9.65%), O (22.05%), S (11.04%)

Molar Mass: 290.29

Atom Count: 30

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	290.036127984
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WEXCKJAGXYRKFJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.17
Topological Polar Surface Area	82.78
Polarizability	29.29
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H10N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00