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4-tert-butyl-1,3-thiazole-5-carboxylic acid

4-tert-butyl-1,3-thiazole-5-carboxylic acid

Formula: C8H11NO2S

SMILES: CC(C)(C)C1=C(SC=N1)C(O)=O

IUPAC: 4-tert-butyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C8H11NO2S/c1-8(2,3)6-5(7(10)11)12-4-9-6/h4H,1-3H3,(H,10,11)

Composition: C (51.87%), H (5.99%), N (7.56%), O (17.27%), S (17.31%)

Molar Mass: 185.24

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.051049772
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LSFWCHUMJQJHSR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.6
Topological Polar Surface Area 50.19
Polarizability 17.81
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
97.58% <7 Days C8H11NO2S $44.88-$1,300.59$44.88$100.98$201.96$278.63$765.77$1,300.59
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98% <10 Days C8H11NO2S Quote Only
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