2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol

2-(thiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol

CAS: 929256-69-9

Formula: C12H15NOS

SMILES: OC1C2CCN(CC2)C1=CC1=CC=CS1

IUPAC: 2-[(thiophen-2-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

InChI: InChI=1/C12H15NOS/c14-12-9-3-5-13(6-4-9)11(12)8-10-2-1-7-15-10/h1-2,7-9,12,14H,3-6H2

Composition: C (65.12%), H (6.83%), N (6.33%), O (7.23%), S (14.49%)

Molar Mass: 221.32

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.087435281
Formal Charge	0
FSP3	0.5
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XMWJEFWRYXIQQR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.65
Topological Polar Surface Area	23.47
Polarizability	23.77
Ring Count	3
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	929256-69-9		$51.35-$86.31$51.35$63.37$86.31