Home Carboxys 4-methyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:
1258651-75-0
Catalog Number:
AG01AAE8
Molecular Formula:
C7H6N4O2S
Molecular Weight:
210.2131
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Product Description
Catalog Number:
AG01AAE8
Chemical Name:
4-methyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1258651-75-0
Molecular Formula:
C7H6N4O2S
Molecular Weight:
210.2131
MDL Number:
MFCD17167159
IUPAC Name:
4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C7H6N4O2S/c1-3-4(7(12)13)14-6(10-3)5-8-2-9-11-5/h2H,1H3,(H,12,13)(H,8,9,11)
InChI Key:
XZBFQXAAKWSAQM-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1C)c1nnc[nH]1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.021g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.211g/mol
Monoisotopic Mass:
210.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties