2-(phenylsulfanyl)pyridine-3-carboxylic acid

2-(phenylsulfanyl)pyridine-3-carboxylic acid

CAS: 35620-72-5

Formula: C12H9NO2S

SMILES: OC(=O)C1=CC=CN=C1SC1=CC=CC=C1

IUPAC: 2-(phenylsulfanyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C12H9NO2S/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)

Composition: C (62.32%), H (3.92%), N (6.06%), O (13.84%), S (13.86%)

Molar Mass: 231.27

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.035399708
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MGIDOIDQQMOYTH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.15
Topological Polar Surface Area	50.19
Polarizability	24.4
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	35620-72-5		$26.48-$311.47$26.48$36.57$90.79$311.47