3-(difluoromethyl)-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(difluoromethyl)-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

CAS: 832739-49-8

Formula: C11H8F2N4S

SMILES: FC(F)C1=NN=C2SC=C(NN12)C1=CC=CC=C1

IUPAC: 3-(difluoromethyl)-6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

InChI: InChI=1S/C11H8F2N4S/c12-9(13)10-14-15-11-17(10)16-8(6-18-11)7-4-2-1-3-5-7/h1-6,9,16H

Composition: C (49.62%), H (3.03%), F (14.27%), N (21.04%), S (12.04%)

Molar Mass: 266.27

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.043773774
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DMWMYSCZQGSIBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.6
Topological Polar Surface Area	42.74
Polarizability	24.12
Ring Count	3
Rotatable Bond Count	2

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