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4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

Formula: C15H22N2O2S3

SMILES: CSC1=NSC(SCC(=O)OC2CC3(C)CCC2C3(C)C)=N1

IUPAC: 4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetate

InChI: InChI=1/C15H22N2O2S3/c1-14(2)9-5-6-15(14,3)7-10(9)19-11(18)8-21-13-16-12(20-4)17-22-13/h9-10H,5-8H2,1-4H3

Composition: C (50.25%), H (6.19%), N (7.81%), O (8.92%), S (26.83%)

Molar Mass: 358.53

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 358.084341478
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ODDLHDZMUSKLGX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.15
Topological Polar Surface Area 52.08
Polarizability 36.7
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H22N2O2S3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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