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6-(1-phenoxyethyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(1-phenoxyethyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C15H12N4OS2

SMILES: CC(OC1=CC=CC=C1)C1=NN2C(S1)=NN=C2C1=CC=CS1

IUPAC: 6-(1-phenoxyethyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1/C15H12N4OS2/c1-10(20-11-6-3-2-4-7-11)14-18-19-13(12-8-5-9-21-12)16-17-15(19)22-14/h2-10H,1H3

Composition: C (54.86%), H (3.68%), N (17.06%), O (4.87%), S (19.52%)

Molar Mass: 328.41

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 328.04525337
Formal Charge 0
FSP3 0.13
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey CVJFMODUGGQFPU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.71
Topological Polar Surface Area 52.31
Polarizability 33.16
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H12N4OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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