ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate

ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate

CAS: 79247-72-6

Formula: C10H15NO2S

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

IUPAC: ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate

InChI: InChI=1S/C10H15NO2S/c1-5-13-9(12)8-11-7(6-14-8)10(2,3)4/h6H,5H2,1-4H3

Composition: C (56.31%), H (7.09%), N (6.57%), O (15.00%), S (15.03%)

Molar Mass: 213.3

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.082349901
Formal Charge	0
FSP3	0.6
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DCHMVIBNJJRJQS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.81
Topological Polar Surface Area	39.19
Polarizability	21.71
Ring Count	1
Rotatable Bond Count	4

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