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

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

Formula: C11H9ClN4OS

SMILES: CC1=NN=C2SC(COC3=CC=C(Cl)C=C3)=NN12

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

InChI: InChI=1S/C11H9ClN4OS/c1-7-13-14-11-16(7)15-10(18-11)6-17-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3

Composition: C (47.06%), H (3.23%), Cl (12.63%), N (19.96%), O (5.70%), S (11.42%)

Molar Mass: 280.73

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 280.0185598
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LRKJMZPTOCZLNM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.47
Topological Polar Surface Area 52.31
Polarizability 26.08
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H9ClN4OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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