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ethyl 4-(pyridin-4-yl)-1,3-thiazole-2-carboxylate

ethyl 4-(pyridin-4-yl)-1,3-thiazole-2-carboxylate

CAS: 216867-38-8

Formula: C11H10N2O2S

SMILES: CCOC(=O)C1=NC(=CS1)C1=CC=NC=C1

IUPAC: ethyl 4-(pyridin-4-yl)-1,3-thiazole-2-carboxylate

InChI: InChI=1S/C11H10N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-3-5-12-6-4-8/h3-7H,2H2,1H3

Composition: C (56.40%), H (4.30%), N (11.96%), O (13.66%), S (13.68%)

Molar Mass: 234.27

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 234.046298744
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KMLUEVQSOXDFPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.12
Topological Polar Surface Area 52.08
Polarizability 24.45
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 216867-38-8 $242.19-$608.58$242.19$608.58
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