Name: Name:ethyl 4-amino-3-(4-fluorophenyl)isothiazole-5-carboxylate
Brand: Angene
SKU: AG01BHYI
Rating: 90 (10 reviews)

ethyl 4-amino-3-(4-fluorophenyl)isothiazole-5-carboxylate

CAS No.:

100361-54-4

Catalog Number:

AG01BHYI

Molecular Formula:

C12H11FN2O2S

Molecular Weight:

266.2913

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Product Description

Catalog Number:

AG01BHYI

Chemical Name:

ethyl 4-amino-3-(4-fluorophenyl)isothiazole-5-carboxylate

CAS Number:

100361-54-4

Molecular Formula:

C12H11FN2O2S

Molecular Weight:

266.2913

MDL Number:

MFCD03050676

IUPAC Name:

ethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate

InChI:

InChI=1S/C12H11FN2O2S/c1-2-17-12(16)11-9(14)10(15-18-11)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3

InChI Key:

MSAJPWUZVXXYQR-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1snc(c1N)c1ccc(cc1)F

Properties

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.29g/mol

Monoisotopic Mass:

266.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501