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tert-butyl 2-({[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)-2-methylpropanoate

tert-butyl 2-({[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)-2-methylpropanoate

CAS: 89604-92-2

Formula: C20H22N4O4S3

SMILES: CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)SC1=NC2=CC=CC=C2S1)C1=CSC(N)=N1

IUPAC: tert-butyl 2-({[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)-2-methylpropanoate

InChI: InChI=1S/C20H22N4O4S3/c1-19(2,3)27-16(26)20(4,5)28-24-14(12-10-29-17(21)22-12)15(25)31-18-23-11-8-6-7-9-13(11)30-18/h6-10H,1-5H3,(H2,21,22)

Composition: C (50.19%), H (4.63%), N (11.71%), O (13.37%), S (20.10%)

Molar Mass: 478.6

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 478.080318726
Formal Charge 0
FSP3 0.35
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey RCZJVHXVCSKDKB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 120.97
Topological Polar Surface Area 116.76
Polarizability 47.96
Ring Count 3
Rotatable Bond Count 9

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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 89604-92-2 $5.75-$12.65$5.75$8.05$12.65
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Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 89604-92-2 $6.21-$385.02$6.21$8.28$13.46$25.88$91.08$385.02
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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 89604-92-2 $554.00$554.00
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CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 89604-92-2 $59.16-$814.98$59.16$100.98$193.80$449.82$814.98
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