Home Halogens 4-chloro-2-[(2-methylphenyl)amino]-1,3-thiazole-5-carbaldehyde

4-chloro-2-[(2-methylphenyl)amino]-1,3-thiazole-5-carbaldehyde

CAS No.:
460730-08-9
Catalog Number:
AG019NU0
Molecular Formula:
C11H9ClN2OS
Molecular Weight:
252.7200
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Product Description
Catalog Number:
AG019NU0
Chemical Name:
4-chloro-2-[(2-methylphenyl)amino]-1,3-thiazole-5-carbaldehyde
CAS Number:
460730-08-9
Molecular Formula:
C11H9ClN2OS
Molecular Weight:
252.7200
MDL Number:
MFCD06375927
IUPAC Name:
4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C11H9ClN2OS/c1-7-4-2-3-5-8(7)13-11-14-10(12)9(6-15)16-11/h2-6H,1H3,(H,13,14)
InChI Key:
QNOUKJGAULDWAJ-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)Nc1ccccc1C
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.012g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.716g/mol
Monoisotopic Mass:
252.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
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