3-(2-bromophenyl)-6-(2-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(2-bromophenyl)-6-(2-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C17H13BrN4OS

SMILES: CCOC1=CC=CC=C1C1=NN2C(S1)=NN=C2C1=CC=CC=C1Br

IUPAC: 3-(2-bromophenyl)-6-(2-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C17H13BrN4OS/c1-2-23-14-10-6-4-8-12(14)16-21-22-15(19-20-17(22)24-16)11-7-3-5-9-13(11)18/h3-10H,2H2,1H3

Composition: C (50.88%), H (3.27%), Br (19.91%), N (13.96%), O (3.99%), S (7.99%)

Molar Mass: 401.28

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	399.999345
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XSXYXQVSRHLBIH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	140.86
Topological Polar Surface Area	52.31
Polarizability	37.89
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13BrN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00