Home Carboxys sodium 5-tert-butyl-1,3,4-thiadiazole-2-carboxylate

sodium 5-tert-butyl-1,3,4-thiadiazole-2-carboxylate

CAS No.:
1803598-34-6
Catalog Number:
AG01BHOV
Molecular Formula:
C7H9N2NaO2S
Molecular Weight:
208.2133
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Product Description
Catalog Number:
AG01BHOV
Chemical Name:
sodium 5-tert-butyl-1,3,4-thiadiazole-2-carboxylate
CAS Number:
1803598-34-6
Molecular Formula:
C7H9N2NaO2S
Molecular Weight:
208.2133
MDL Number:
MFCD28145356
IUPAC Name:
sodium;5-tert-butyl-1,3,4-thiadiazole-2-carboxylate
InChI:
InChI=1S/C7H10N2O2S.Na/c1-7(2,3)6-9-8-4(12-6)5(10)11;/h1-3H3,(H,10,11);/q;+1/p-1
InChI Key:
MMVXUXGVDFEKBJ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nnc(s1)C(C)(C)C.[Na+]
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.211g/mol
Monoisotopic Mass:
208.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties