ethyl 4-acetyl-1,3-thiazole-2-carboxylate

ethyl 4-acetyl-1,3-thiazole-2-carboxylate

CAS: 68158-15-6

Formula: C8H9NO3S

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

IUPAC: ethyl 4-acetyl-1,3-thiazole-2-carboxylate

InChI: InChI=1S/C8H9NO3S/c1-3-12-8(11)7-9-6(4-13-7)5(2)10/h4H,3H2,1-2H3

Composition: C (48.23%), H (4.55%), N (7.03%), O (24.09%), S (16.09%)

Molar Mass: 199.22

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.030314328
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZETZPNRKYZHVSJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.55
Topological Polar Surface Area	56.26
Polarizability	18.27
Ring Count	1
Rotatable Bond Count	4

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