Home Carboxys sodium 2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate

sodium 2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate

CAS No.:
1797216-60-4
Catalog Number:
AG01AV0J
Molecular Formula:
C11H15N2NaO4S
Molecular Weight:
294.3026
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Product Description
Catalog Number:
AG01AV0J
Chemical Name:
sodium 2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate
CAS Number:
1797216-60-4
Molecular Formula:
C11H15N2NaO4S
Molecular Weight:
294.3026
MDL Number:
MFCD27959410
IUPAC Name:
sodium;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H16N2O4S.Na/c1-11(2,3)17-10(16)12-5-4-8-13-7(6-18-8)9(14)15;/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15);/q;+1/p-1
InChI Key:
CIBGZFFGDSHERW-UHFFFAOYSA-M
SMILES:
O=C(OC(C)(C)C)NCCc1scc(n1)C(=O)[O-].[Na+]
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.065g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.301g/mol
Monoisotopic Mass:
294.065g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties