(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

CAS: 1382799-40-7

Formula: C9H14F2N2O3S

SMILES: [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2

IUPAC: (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

InChI: InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1

Composition: C (40.29%), H (5.26%), F (14.16%), N (10.44%), O (17.89%), S (11.95%)

Molar Mass: 268.28

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	268.069319819
Formal Charge	0
FSP3	0.89
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	UDQTXCHQKHIQMH-KYGLGHNPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.89
Topological Polar Surface Area	74.08
Polarizability	22.5
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.45%	<7 Days	1382799-40-7		$112.20-$1,196.80$112.20$233.75$374.00$748.00$1,196.80

Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1382799-40-7		$190.34-$1,940.81$190.34$285.89$574.83$789.63$1,294.13$1,940.81