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

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

Formula: C12H11BrN4S

SMILES: CCCC1=NN=C2SC(=NN12)C1=CC=CC(Br)=C1

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

InChI: InChI=1S/C12H11BrN4S/c1-2-4-10-14-15-12-17(10)16-11(18-12)8-5-3-6-9(13)7-8/h3,5-7H,2,4H2,1H3

Composition: C (44.59%), H (3.43%), Br (24.72%), N (17.33%), S (9.92%)

Molar Mass: 323.21

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	321.988781
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SYJUOYBZPXMVOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.22
Topological Polar Surface Area	43.08
Polarizability	28.77
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H11BrN4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00