4-ethyl-1,3-thiazole-5-carboxylic acid

4-ethyl-1,3-thiazole-5-carboxylic acid

CAS: 126889-07-4

Formula: C6H7NO2S

SMILES: CCC1=C(SC=N1)C(O)=O

IUPAC: 4-ethyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C6H7NO2S/c1-2-4-5(6(8)9)10-3-7-4/h3H,2H2,1H3,(H,8,9)

Composition: C (45.85%), H (4.49%), N (8.91%), O (20.36%), S (20.40%)

Molar Mass: 157.19

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.019749643
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JUJNNKYDFBHNOW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.53
Topological Polar Surface Area	50.19
Polarizability	14.17
Ring Count	1
Rotatable Bond Count	2

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