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

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

CAS No.:
1553367-71-7
Catalog Number:
AG01EK8H
Molecular Formula:
C7H6N4O2S
Molecular Weight:
210.2131
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Product Description
Catalog Number:
AG01EK8H
Chemical Name:
5-methyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxylic acid
CAS Number:
1553367-71-7
Molecular Formula:
C7H6N4O2S
Molecular Weight:
210.2131
MDL Number:
MFCD24206319
IUPAC Name:
5-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C7H6N4O2S/c1-3-4(7(12)13)10-6(14-3)5-8-2-9-11-5/h2H,1H3,(H,12,13)(H,8,9,11)
InChI Key:
QGHNSBDEZYGUPW-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(sc1C)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