2-[(2-methylphenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[(2-methylphenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

CAS: 339013-89-7

Formula: C12H10F3N3OS2

SMILES: CC1=C(SCC(=O)NC2=NN=C(S2)C(F)(F)F)C=CC=C1

IUPAC: 2-[(2-methylphenyl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

InChI: InChI=1S/C12H10F3N3OS2/c1-7-4-2-3-5-8(7)20-6-9(19)16-11-18-17-10(21-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)

Composition: C (43.24%), H (3.02%), F (17.10%), N (12.61%), O (4.80%), S (19.24%)

Molar Mass: 333.35

Atom Count: 31

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.021738791
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MAAYNRJUPMVKOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.62
Topological Polar Surface Area	54.88
Polarizability	27.86
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	339013-89-7		$51.35-$86.31$51.35$63.37$86.31