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ethyl 2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-4-phenyl-1,3-thiazole-5-carboxylate

Formula: C17H16N4O3S4

SMILES: CCOC(=O)C1=C(N=C(NC(=O)CSC2=NC(SC)=NS2)S1)C1=CC=CC=C1

IUPAC: ethyl 2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-4-phenyl-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C17H16N4O3S4/c1-3-24-14(23)13-12(10-7-5-4-6-8-10)19-15(27-13)18-11(22)9-26-17-20-16(25-2)21-28-17/h4-8H,3,9H2,1-2H3,(H,18,19,22)

Composition: C (45.12%), H (3.56%), N (12.38%), O (10.61%), S (28.34%)

Molar Mass: 452.58

Atom Count: 44

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 452.010525087
Formal Charge 0
FSP3 0.24
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey YYIDCHQLMGZCQG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 116.53
Topological Polar Surface Area 94.07
Polarizability 44.81
Ring Count 3
Rotatable Bond Count 9

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16N4O3S4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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