(1R,4R)-2??-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride

(1R,4R)-2??-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride

CAS: 2231666-40-1

Formula: C5H10ClNO2S

SMILES: Cl.O=S1(=O)C[C@H]2C[C@@H]1CN2

IUPAC: (1R,4R)-2??-thia-5-azabicyclo[2.2.1]heptane-2,2-dione hydrochloride

InChI: InChI=1S/C5H9NO2S.ClH/c7-9(8)3-4-1-5(9)2-6-4;/h4-6H,1-3H2;1H/t4-,5-;/m1./s1

Composition: C (32.70%), H (5.49%), Cl (19.30%), N (7.63%), O (17.42%), S (17.46%)

Molar Mass: 183.65

Atom Count: 20

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	183.0120774
Formal Charge	0
FSP3	1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CCLLUNMSIFQAIP-TYSVMGFPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.66
Topological Polar Surface Area	46.17
Polarizability	14.24
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2231666-40-1		$276.16-$1,134.90$276.16$441.35$756.60$1,134.90