tert-butyl 5,5-dioxo-4-oxa-5??-thia-6-azaspiro[2.4]heptane-6-carboxylate

tert-butyl 5,5-dioxo-4-oxa-5??-thia-6-azaspiro[2.4]heptane-6-carboxylate

CAS: 2089649-97-6

Formula: C9H15NO5S

SMILES: CC(C)(C)OC(=O)N1CC2(CC2)OS1(=O)=O

IUPAC: tert-butyl 5,5-dioxo-4-oxa-5??-thia-6-azaspiro[2.4]heptane-6-carboxylate

InChI: InChI=1S/C9H15NO5S/c1-8(2,3)14-7(11)10-6-9(4-5-9)15-16(10,12)13/h4-6H2,1-3H3

Composition: C (43.36%), H (6.07%), N (5.62%), O (32.09%), S (12.86%)

Molar Mass: 249.28

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	249.067093761
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OXSRFCSSXSEIMB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.81
Topological Polar Surface Area	72.91
Polarizability	22.81
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	2089649-97-6		$447.66-$1,687.22$447.66$702.38$1,687.22