Home Aminos 2-(2-((1-amino-1-oxobutan-2-yl)thio)thiazol-4-yl)acetic acid

2-(2-((1-amino-1-oxobutan-2-yl)thio)thiazol-4-yl)acetic acid

CAS No.:
1341986-86-4
Catalog Number:
AG01BU7Y
Molecular Formula:
C9H12N2O3S2
Molecular Weight:
260.3332
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Product Description
Catalog Number:
AG01BU7Y
Chemical Name:
2-(2-((1-amino-1-oxobutan-2-yl)thio)thiazol-4-yl)acetic acid
CAS Number:
1341986-86-4
Molecular Formula:
C9H12N2O3S2
Molecular Weight:
260.3332
MDL Number:
MFCD20293673
IUPAC Name:
2-[2-(1-amino-1-oxobutan-2-yl)sulfanyl-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C9H12N2O3S2/c1-2-6(8(10)14)16-9-11-5(4-15-9)3-7(12)13/h4,6H,2-3H2,1H3,(H2,10,14)(H,12,13)
InChI Key:
ZFMRYSRYVCPIOU-UHFFFAOYSA-N
SMILES:
CCC(C(=O)N)Sc1scc(n1)CC(=O)O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.029g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.326g/mol
Monoisotopic Mass:
260.029g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties