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

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

CAS: 832739-43-2

Formula: C11H6Cl2F2N4S

SMILES: FC(F)C1=NN=C2SC=C(NN12)C1=CC=C(Cl)C=C1Cl

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

InChI: InChI=1S/C11H6Cl2F2N4S/c12-5-1-2-6(7(13)3-5)8-4-20-11-17-16-10(9(14)15)19(11)18-8/h1-4,9,18H

Composition: C (39.42%), H (1.80%), Cl (21.15%), F (11.34%), N (16.72%), S (9.57%)

Molar Mass: 335.15

Atom Count: 26

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.9658291
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OYIJQJCRWGXLMT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.21
Topological Polar Surface Area	42.74
Polarizability	28.06
Ring Count	3
Rotatable Bond Count	2

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