2-[(difluoromethyl)sulfanyl]-1,3-benzothiazole

2-[(difluoromethyl)sulfanyl]-1,3-benzothiazole

CAS: 943-08-8

Formula: C8H5F2NS2

SMILES: FC(F)SC1=NC2=CC=CC=C2S1

IUPAC: 2-[(difluoromethyl)sulfanyl]-1,3-benzothiazole

InChI: InChI=1S/C8H5F2NS2/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4,7H

Composition: C (44.23%), H (2.32%), F (17.49%), N (6.45%), S (29.51%)

Molar Mass: 217.25

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	216.983147839
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XYUPZERKMMCICQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.54
Topological Polar Surface Area	12.89
Polarizability	20
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95.07%	<7 Days	943-08-8		$16.83-$277.70$16.83$66.39$277.70

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98%	<5 Days	943-08-8		$56.75-$610.32$56.75$165.19$610.32