ethyl 2-methanesulfonyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-methanesulfonyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

CAS: 1000339-78-5

Formula: C8H8F3NO4S2

SMILES: CCOC(=O)C1=C(N=C(S1)S(C)(=O)=O)C(F)(F)F

IUPAC: ethyl 2-methanesulfonyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C8H8F3NO4S2/c1-3-16-6(13)4-5(8(9,10)11)12-7(17-4)18(2,14)15/h3H2,1-2H3

Composition: C (31.68%), H (2.66%), F (18.79%), N (4.62%), O (21.10%), S (21.14%)

Molar Mass: 303.27

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.984684579
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NWECTZZKNWFTHO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.9
Topological Polar Surface Area	73.33
Polarizability	22.17
Ring Count	1
Rotatable Bond Count	5

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