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Home Carboxys 5-Amino-3-methylisothiazole-4-carboxylic acid

5-Amino-3-methylisothiazole-4-carboxylic acid

CAS No.:
22131-51-7
Catalog Number:
AG007PIY
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG007PIY
Chemical Name:
5-Amino-3-methylisothiazole-4-carboxylic acid
CAS Number:
22131-51-7
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD06376749
IUPAC Name:
5-amino-3-methyl-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)
InChI Key:
AQBUEVXOULPURO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)snc1C
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
New derivatives of 5-amino-3-methyl-4-isothiazolecarboxylic acid and their immunological activity. Acta poloniae pharmaceutica 20070101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties