6-(3,4-dimethylphenoxymethyl)-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(3,4-dimethylphenoxymethyl)-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C19H18N4OS2

SMILES: CC1=CC=C(OCC2=NN3C(CSC4=CC=CC=C4)=NN=C3S2)C=C1C

IUPAC: 6-[(3,4-dimethylphenoxy)methyl]-3-[(phenylsulfanyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C19H18N4OS2/c1-13-8-9-15(10-14(13)2)24-11-18-22-23-17(20-21-19(23)26-18)12-25-16-6-4-3-5-7-16/h3-10H,11-12H2,1-2H3

Composition: C (59.66%), H (4.74%), N (14.65%), O (4.18%), S (16.76%)

Molar Mass: 382.5

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	382.092203564
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	PXGPYZOLQRDQKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.16
Topological Polar Surface Area	52.31
Polarizability	40.36
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18N4OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00