6-(4-bromophenyl)-3-[(phenylsulfanyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-bromophenyl)-3-[(phenylsulfanyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Formula: C17H13BrN4S2

SMILES: BrC1=CC=C(C=C1)C1=CSC2=NN=C(CSC3=CC=CC=C3)N2N1

IUPAC: 6-(4-bromophenyl)-3-[(phenylsulfanyl)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

InChI: InChI=1S/C17H13BrN4S2/c18-13-8-6-12(7-9-13)15-10-24-17-20-19-16(22(17)21-15)11-23-14-4-2-1-3-5-14/h1-10,21H,11H2

Composition: C (48.93%), H (3.14%), Br (19.15%), N (13.42%), S (15.36%)

Molar Mass: 417.34

Atom Count: 37

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	415.976502
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CQWZMNPCZPJXKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.49
Topological Polar Surface Area	42.74
Polarizability	39.96
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H13BrN4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00