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114012-10-1 | 4-Thiazolecarboxylic acid, 2-(1-amino-2-methylbutyl)-4,5-dihydro-
CAS No: 114012-10-1 Catalog No: AG000AAI MDL No:
Product Description
Catalog Number:
AG000AAI
Chemical Name:
4-Thiazolecarboxylic acid, 2-(1-amino-2-methylbutyl)-4,5-dihydro-
CAS Number:
114012-10-1
Molecular Formula:
C9H16N2O2S
Molecular Weight:
216.3005
IUPAC Name:
2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C9H16N2O2S/c1-3-5(2)7(10)8-11-6(4-14-8)9(12)13/h5-7H,3-4,10H2,1-2H3,(H,12,13)
InChI Key:
KMNWSXQQLQQBQX-UHFFFAOYSA-N
SMILES:
CC(C(C1=NC(CS1)C(=O)O)N)CC
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.299g/mol
Monoisotopic Mass:
216.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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