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ethyl 5-methyl-1,3-thiazole-4-carboxylate

ethyl 5-methyl-1,3-thiazole-4-carboxylate

CAS: 61323-26-0

Formula: C7H9NO2S

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

IUPAC: ethyl 5-methyl-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C7H9NO2S/c1-3-10-7(9)6-5(2)11-4-8-6/h4H,3H2,1-2H3

Composition: C (49.11%), H (5.30%), N (8.18%), O (18.69%), S (18.73%)

Molar Mass: 171.21

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.035399708
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SNOLCJGSEPTCMD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.72
Topological Polar Surface Area 39.19
Polarizability 16.22
Ring Count 1
Rotatable Bond Count 3

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97% <5 Days 61323-26-0 $26.48-$364.43$26.48$76.92$364.43
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