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Home > Sulfanilamide > 1601940-52-6
1601940-52-6 | (4-methyl-4H-1,2,4-triazol-3-yl)methanesulfonamide
CAS No: 1601940-52-6 Catalog No: AG01B3PX MDL No:
Product Description
Catalog Number:
AG01B3PX
Chemical Name:
(4-methyl-4H-1,2,4-triazol-3-yl)methanesulfonamide
CAS Number:
1601940-52-6
Molecular Formula:
C4H8N4O2S
Molecular Weight:
176.1969
IUPAC Name:
(4-methyl-1,2,4-triazol-3-yl)methanesulfonamide
InChI:
InChI=1S/C4H8N4O2S/c1-8-3-6-7-4(8)2-11(5,9)10/h3H,2H2,1H3,(H2,5,9,10)
InChI Key:
KZGAFRUHGNNNCO-UHFFFAOYSA-N
SMILES:
Cn1cnnc1CS(=O)(=O)N
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.194g/mol
Monoisotopic Mass:
176.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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