5-(trifluoromethyl)-1,3-benzothiazole

5-(trifluoromethyl)-1,3-benzothiazole

CAS: 13451-80-4

Formula: C8H4F3NS

SMILES: FC(F)(F)C1=CC=C2SC=NC2=C1

IUPAC: 5-(trifluoromethyl)-1,3-benzothiazole

InChI: InChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-7-6(3-5)12-4-13-7/h1-4H

Composition: C (47.29%), H (1.98%), F (28.05%), N (6.89%), S (15.78%)

Molar Mass: 203.18

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	203.001654796
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ODSGKKPRKQLYDA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.1
Topological Polar Surface Area	12.89
Polarizability	16.75
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	13451-80-4		$51.35-$86.31$51.35$63.37$86.31