6-(trifluoromethyl)-1,3-benzoxazole-2-thiol

6-(trifluoromethyl)-1,3-benzoxazole-2-thiol

CAS: 149367-81-7

Formula: C8H4F3NOS

SMILES: FC(F)(F)C1=CC=C2N=C(S)OC2=C1

IUPAC: 6-(trifluoromethyl)-1,3-benzoxazole-2-thiol

InChI: InChI=1S/C8H4F3NOS/c9-8(10,11)4-1-2-5-6(3-4)13-7(14)12-5/h1-3H,(H,12,14)

Composition: C (43.84%), H (1.84%), F (26.00%), N (6.39%), O (7.30%), S (14.63%)

Molar Mass: 219.18

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.996569416
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	HVLLZICHEIQTJH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.18
Topological Polar Surface Area	26.03
Polarizability	18.05
Ring Count	2
Rotatable Bond Count	1

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97%	<2 Days	149367-81-7		$51.35-$359.43$51.35$63.37$86.31$225.06$359.43