N-(2,6-dibromo-4-methylphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide

Formula: C11H10Br2N4OS

SMILES: CC1=CC(Br)=C(NC(=O)CSC2=NNC=N2)C(Br)=C1

IUPAC: N-(2,6-dibromo-4-methylphenyl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide

InChI: InChI=1S/C11H10Br2N4OS/c1-6-2-7(12)10(8(13)3-6)16-9(18)4-19-11-14-5-15-17-11/h2-3,5H,4H2,1H3,(H,16,18)(H,14,15,17)

Composition: C (32.53%), H (2.48%), Br (39.35%), N (13.80%), O (3.94%), S (7.89%)

Molar Mass: 406.1

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	403.894208
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KOYPRJADFIKZLC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.42
Topological Polar Surface Area	70.67
Polarizability	31.49
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H10Br2N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00