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2-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyrazine

2-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyrazine

Formula: C13H7ClN6S

SMILES: ClC1=CC=CC(=C1)C1=NN=C2SC(=NN12)C1=CN=CC=N1

IUPAC: 2-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyrazine

InChI: InChI=1S/C13H7ClN6S/c14-9-3-1-2-8(6-9)11-17-18-13-20(11)19-12(21-13)10-7-15-4-5-16-10/h1-7H

Composition: C (49.61%), H (2.24%), Cl (11.26%), N (26.70%), S (10.19%)

Molar Mass: 314.75

Atom Count: 28

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 314.0141431
Formal Charge 0
FSP3 0
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey LJIAYYXONWXNHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.15
Topological Polar Surface Area 68.86
Polarizability 30.91
Ring Count 4
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H7ClN6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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