Home Carboxys Methyl 4-amino-3-phenylisothiazole-5-carboxylate

Methyl 4-amino-3-phenylisothiazole-5-carboxylate

CAS No.:
82424-58-6
Catalog Number:
AG008JZH
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
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Product Description
Catalog Number:
AG008JZH
Chemical Name:
Methyl 4-amino-3-phenylisothiazole-5-carboxylate
CAS Number:
82424-58-6
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
MDL Number:
MFCD12031084
IUPAC Name:
methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
InChI:
InChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)9(13-16-10)7-5-3-2-4-6-7/h2-6H,12H2,1H3
InChI Key:
BCLABDHRUQOVHX-UHFFFAOYSA-N
SMILES:
COC(=O)c1snc(c1N)c1ccccc1
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties