5-(benzylsulfanyl)-4-(4-fluorophenyl)-1,2,3-thiadiazole

5-(benzylsulfanyl)-4-(4-fluorophenyl)-1,2,3-thiadiazole

CAS: 338408-63-2

Formula: C15H11FN2S2

SMILES: FC1=CC=C(C=C1)C1=C(SCC2=CC=CC=C2)SN=N1

IUPAC: 5-(benzylsulfanyl)-4-(4-fluorophenyl)-1,2,3-thiadiazole

InChI: InChI=1S/C15H11FN2S2/c16-13-8-6-12(7-9-13)14-15(20-18-17-14)19-10-11-4-2-1-3-5-11/h1-9H,10H2

Composition: C (59.58%), H (3.67%), F (6.28%), N (9.26%), S (21.20%)

Molar Mass: 302.39

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	302.034768873
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LMKQKLBIYVDRAZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	81.92
Topological Polar Surface Area	25.78
Polarizability	32.36
Ring Count	3
Rotatable Bond Count	4

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