5-chloro-2-[(pyridin-3-ylmethyl)sulfanyl]-1,3-benzoxazole

5-chloro-2-[(pyridin-3-ylmethyl)sulfanyl]-1,3-benzoxazole

CAS: 338750-71-3

Formula: C13H9ClN2OS

SMILES: ClC1=CC=C2OC(SCC3=CN=CC=C3)=NC2=C1

IUPAC: 5-chloro-2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzoxazole

InChI: InChI=1S/C13H9ClN2OS/c14-10-3-4-12-11(6-10)16-13(17-12)18-8-9-2-1-5-15-7-9/h1-7H,8H2

Composition: C (56.42%), H (3.28%), Cl (12.81%), N (10.12%), O (5.78%), S (11.58%)

Molar Mass: 276.74

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	276.0124118
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OOYBULONXHFHQY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.26
Topological Polar Surface Area	38.92
Polarizability	29.31
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	338750-71-3		$51.35-$86.31$51.35$63.37$86.31