3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazole

3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazole

CAS: 343374-88-9

Formula: C6H6F3N3S

SMILES: FC(F)=C(F)CCSC1=NNC=N1

IUPAC: 3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazole

InChI: InChI=1S/C6H6F3N3S/c7-4(5(8)9)1-2-13-6-10-3-11-12-6/h3H,1-2H2,(H,10,11,12)

Composition: C (34.45%), H (2.89%), F (27.25%), N (20.09%), S (15.33%)

Molar Mass: 209.19

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.023452868
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HZBHPWHOQYUZHK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.96
Topological Polar Surface Area	41.57
Polarizability	15.99
Ring Count	1
Rotatable Bond Count	4

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