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Home Carboxys 5-Thiazolecarboxylicacid, 4-amino-2,3-dihydro-3-(2-propen-1-yl)-2-thioxo-, ethyl ester

5-Thiazolecarboxylicacid, 4-amino-2,3-dihydro-3-(2-propen-1-yl)-2-thioxo-, ethyl ester

CAS No.:
111698-89-6
Catalog Number:
AG0081Z6
Molecular Formula:
C9H12N2O2S2
Molecular Weight:
244.3338
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Product Description
Catalog Number:
AG0081Z6
Chemical Name:
5-Thiazolecarboxylicacid, 4-amino-2,3-dihydro-3-(2-propen-1-yl)-2-thioxo-, ethyl ester
CAS Number:
111698-89-6
Molecular Formula:
C9H12N2O2S2
Molecular Weight:
244.3338
MDL Number:
MFCD01072107
IUPAC Name:
ethyl 4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C9H12N2O2S2/c1-3-5-11-7(10)6(15-9(11)14)8(12)13-4-2/h3H,1,4-5,10H2,2H3
InChI Key:
FVAURYNWNASSIF-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)sc(c1N)C(=O)OCC
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.034g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.327g/mol
Monoisotopic Mass:
244.034g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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
Properties