Home Carboxys potassium 4-carboxy-1,2,5-thiadiazole-3-carboxylate hydrate

potassium 4-carboxy-1,2,5-thiadiazole-3-carboxylate hydrate

CAS No.:
462651-65-6
Catalog Number:
AG01B1OP
Molecular Formula:
C4H3KN2O5S
Molecular Weight:
230.2403
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Product Description
Catalog Number:
AG01B1OP
Chemical Name:
potassium 4-carboxy-1,2,5-thiadiazole-3-carboxylate hydrate
CAS Number:
462651-65-6
Molecular Formula:
C4H3KN2O5S
Molecular Weight:
230.2403
MDL Number:
MFCD00810280
IUPAC Name:
potassium;4-carboxy-1,2,5-thiadiazole-3-carboxylate;hydrate
InChI:
InChI=1S/C4H2N2O4S.K.H2O/c7-3(8)1-2(4(9)10)6-11-5-1;;/h(H,7,8)(H,9,10);;1H2/q;+1;/p-1
InChI Key:
BJIVBBVMSPGUDU-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nsnc1C(=O)O.O.[K+]
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.235g/mol
Monoisotopic Mass:
229.94g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties