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827026-60-8 | 1,3,4-Thiadiazole-2-sulfonic acid, 5-(acetylamino)-
CAS No: 827026-60-8 Catalog No: AG004WFV MDL No:
Product Description
Catalog Number:
AG004WFV
Chemical Name:
1,3,4-Thiadiazole-2-sulfonic acid, 5-(acetylamino)-
CAS Number:
827026-60-8
Molecular Formula:
C4H5N3O4S2
Molecular Weight:
223.2302
IUPAC Name:
5-acetamido-1,3,4-thiadiazole-2-sulfonic acid
InChI:
InChI=1S/C4H5N3O4S2/c1-2(8)5-3-6-7-4(12-3)13(9,10)11/h1H3,(H,5,6,8)(H,9,10,11)
InChI Key:
YLYWNBBQDHCLJL-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nnc(s1)S(=O)(=O)O
UNII:
R108Y51SMI
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.221g/mol
Monoisotopic Mass:
222.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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