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Home Aminos 4-((1,3,4-Thiadiazol-2-yl)amino)-4-oxobutanoic acid

4-((1,3,4-Thiadiazol-2-yl)amino)-4-oxobutanoic acid

CAS No.:
26861-97-2
Catalog Number:
AG00BES6
Molecular Formula:
C6H7N3O3S
Molecular Weight:
201.2031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00BES6
Chemical Name:
4-((1,3,4-Thiadiazol-2-yl)amino)-4-oxobutanoic acid
CAS Number:
26861-97-2
Molecular Formula:
C6H7N3O3S
Molecular Weight:
201.2031
MDL Number:
MFCD01357643
IUPAC Name:
4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid
InChI:
InChI=1S/C6H7N3O3S/c10-4(1-2-5(11)12)8-6-9-7-3-13-6/h3H,1-2H2,(H,11,12)(H,8,9,10)
InChI Key:
JYLCXMIWSXYXNE-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)Nc1nncs1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.021g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.2g/mol
Monoisotopic Mass:
201.021g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties