ethyl 2-methyl-1,3-thiazole-5-carboxylate

ethyl 2-methyl-1,3-thiazole-5-carboxylate

CAS: 79836-78-5

Formula: C7H9NO2S

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

IUPAC: ethyl 2-methyl-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-8-5(2)11-6/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	ORCQTMZHDQSNOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.27
Topological Polar Surface Area	39.19
Polarizability	16.23
Ring Count	1
Rotatable Bond Count	3

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