Name: Name:2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxylic acid
Brand: Angene
SKU: AG01A90E
Rating: 90 (10 reviews)

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

CAS No.:

1094373-88-2

Catalog Number:

AG01A90E

Molecular Formula:

C6H4N4O2S

Molecular Weight:

196.1866

Catalog Number:

AG01A90E

Chemical Name:

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

CAS Number:

1094373-88-2

Molecular Formula:

C6H4N4O2S

Molecular Weight:

196.1866

MDL Number:

MFCD11180930

IUPAC Name:

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

InChI:

InChI=1S/C6H4N4O2S/c11-6(12)3-1-13-5(9-3)4-7-2-8-10-4/h1-2H,(H,11,12)(H,7,8,10)

InChI Key:

RFGCNIVMVSWMJG-UHFFFAOYSA-N

SMILES:

OC(=O)c1csc(n1)c1nnc[nH]1

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.184g/mol

Monoisotopic Mass:

196.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6