Home Carboxys 2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

CAS No.:
96356-06-8
Catalog Number:
AG019Z11
Molecular Formula:
C6H5N3O2S
Molecular Weight:
183.1878
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Product Description
Catalog Number:
AG019Z11
Chemical Name:
2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CAS Number:
96356-06-8
Molecular Formula:
C6H5N3O2S
Molecular Weight:
183.1878
MDL Number:
MFCD09414726
IUPAC Name:
2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
InChI:
InChI=1S/C6H5N3O2S/c1-3-8-9-2-4(5(10)11)7-6(9)12-3/h2H,1H3,(H,10,11)
InChI Key:
XPVBUTIMBWWGJS-UHFFFAOYSA-N
SMILES:
Cc1nn2c(s1)nc(c2)C(=O)O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.185g/mol
Monoisotopic Mass:
183.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties