Home Aminos sodium 2-{2-[(3-methylpentan-2-yl)amino]-1,3-thiazol-4-yl}acetate

sodium 2-{2-[(3-methylpentan-2-yl)amino]-1,3-thiazol-4-yl}acetate

CAS No.:
2060006-13-3
Catalog Number:
AG01BVPH
Molecular Formula:
C11H17N2NaO2S
Molecular Weight:
264.3197
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Product Description
Catalog Number:
AG01BVPH
Chemical Name:
sodium 2-{2-[(3-methylpentan-2-yl)amino]-1,3-thiazol-4-yl}acetate
CAS Number:
2060006-13-3
Molecular Formula:
C11H17N2NaO2S
Molecular Weight:
264.3197
MDL Number:
MFCD30497613
IUPAC Name:
sodium;2-[2-(3-methylpentan-2-ylamino)-1,3-thiazol-4-yl]acetate
InChI:
InChI=1S/C11H18N2O2S.Na/c1-4-7(2)8(3)12-11-13-9(6-16-11)5-10(14)15;/h6-8H,4-5H2,1-3H3,(H,12,13)(H,14,15);/q;+1/p-1
InChI Key:
KQARYFOFGNFXNA-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1csc(n1)NC(C(CC)C)C.[Na+]
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.091g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.319g/mol
Monoisotopic Mass:
264.091g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties