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ethyl 4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylate

CAS: 39091-00-4

Formula: C12H12N2O2S

SMILES: CCOC(=O)C1=C(C)N=C(S1)C1=CN=CC=C1

IUPAC: ethyl 4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C12H12N2O2S/c1-3-16-12(15)10-8(2)14-11(17-10)9-5-4-6-13-7-9/h4-7H,3H2,1-2H3

Composition: C (58.05%), H (4.87%), N (11.28%), O (12.89%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.061948808
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PNJYSPUXYJWHJJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.36
Topological Polar Surface Area 52.08
Polarizability 25.55
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 39091-00-4 $51.35-$245.81$51.35$52.44$63.37$81.94$86.31$245.81
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