Home Carboxys sodium 5-(propan-2-yl)-1,3,4-thiadiazole-2-carboxylate

sodium 5-(propan-2-yl)-1,3,4-thiadiazole-2-carboxylate

CAS No.:
1803586-80-2
Catalog Number:
AG01B8T8
Molecular Formula:
C6H7N2NaO2S
Molecular Weight:
194.1867
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Product Description
Catalog Number:
AG01B8T8
Chemical Name:
sodium 5-(propan-2-yl)-1,3,4-thiadiazole-2-carboxylate
CAS Number:
1803586-80-2
Molecular Formula:
C6H7N2NaO2S
Molecular Weight:
194.1867
MDL Number:
MFCD28348116
IUPAC Name:
sodium;5-propan-2-yl-1,3,4-thiadiazole-2-carboxylate
InChI:
InChI=1S/C6H8N2O2S.Na/c1-3(2)4-7-8-5(11-4)6(9)10;/h3H,1-2H3,(H,9,10);/q;+1/p-1
InChI Key:
IUDBBQRXSDLJGH-UHFFFAOYSA-M
SMILES:
CC(c1nnc(s1)C(=O)[O-])C.[Na+]
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.013g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.184g/mol
Monoisotopic Mass:
194.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties