Home Aminos lithium(1+) ion 2-{2-[(pentan-3-yl)amino]-1,3-thiazol-4-yl}acetate

lithium(1+) ion 2-{2-[(pentan-3-yl)amino]-1,3-thiazol-4-yl}acetate

CAS No.:
2044713-03-1
Catalog Number:
AG01BXLO
Molecular Formula:
C10H15LiN2O2S
Molecular Weight:
234.2443
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Product Description
Catalog Number:
AG01BXLO
Chemical Name:
lithium(1+) ion 2-{2-[(pentan-3-yl)amino]-1,3-thiazol-4-yl}acetate
CAS Number:
2044713-03-1
Molecular Formula:
C10H15LiN2O2S
Molecular Weight:
234.2443
MDL Number:
MFCD30487863
IUPAC Name:
lithium;2-[2-(pentan-3-ylamino)-1,3-thiazol-4-yl]acetate
InChI:
InChI=1S/C10H16N2O2S.Li/c1-3-7(4-2)11-10-12-8(6-15-10)5-9(13)14;/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14);/q;+1/p-1
InChI Key:
UVQXZEAZWAWTJK-UHFFFAOYSA-M
SMILES:
CCC(Nc1scc(n1)CC(=O)[O-])CC.[Li+]
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.101g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.242g/mol
Monoisotopic Mass:
234.101g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties