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

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

Formula: C18H14N4O2S2

SMILES: C(SC1=CC=CC=C1)C1=NN=C2SC(=NN12)C1COC2=C(O1)C=CC=C2

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

InChI: InChI=1/C18H14N4O2S2/c1-2-6-12(7-3-1)25-11-16-19-20-18-22(16)21-17(26-18)15-10-23-13-8-4-5-9-14(13)24-15/h1-9,15H,10-11H2

Composition: C (56.53%), H (3.69%), N (14.65%), O (8.37%), S (16.77%)

Molar Mass: 382.46

Atom Count: 40

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	382.055818055
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	COLQGRFBIWQKLE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.31
Topological Polar Surface Area	61.54
Polarizability	38.65
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H14N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00