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89518-01-4 | 1H-1,2,4-Triazole-3-sulfonamide, 2,5-dihydro-2-(1-methylethyl)-5-oxo-
CAS No: 89518-01-4 Catalog No: AG0087AZ MDL No:
Product Description
Catalog Number:
AG0087AZ
Chemical Name:
1H-1,2,4-Triazole-3-sulfonamide, 2,5-dihydro-2-(1-methylethyl)-5-oxo-
CAS Number:
89518-01-4
Molecular Formula:
C5H10N4O3S
Molecular Weight:
206.2229
IUPAC Name:
5-oxo-2-propan-2-yl-1H-1,2,4-triazole-3-sulfonamide
InChI:
InChI=1S/C5H10N4O3S/c1-3(2)9-5(13(6,11)12)7-4(10)8-9/h3H,1-2H3,(H,8,10)(H2,6,11,12)
InChI Key:
GQTBXPUGSGNKPA-UHFFFAOYSA-N
SMILES:
O=c1[nH]n(c(n1)S(=O)(=O)N)C(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.22g/mol
Monoisotopic Mass:
206.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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