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1595798-12-1 | (dimethyl-4H-1,2,4-triazol-3-yl)methanesulfonamide
CAS No: 1595798-12-1 Catalog No: AG01B3Q1 MDL No:
Product Description
Catalog Number:
AG01B3Q1
Chemical Name:
(dimethyl-4H-1,2,4-triazol-3-yl)methanesulfonamide
CAS Number:
1595798-12-1
Molecular Formula:
C5H10N4O2S
Molecular Weight:
190.2235
IUPAC Name:
(4,5-dimethyl-1,2,4-triazol-3-yl)methanesulfonamide
InChI:
InChI=1S/C5H10N4O2S/c1-4-7-8-5(9(4)2)3-12(6,10)11/h3H2,1-2H3,(H2,6,10,11)
InChI Key:
BMLTXRSLZLWIDD-UHFFFAOYSA-N
SMILES:
Cc1nnc(n1C)CS(=O)(=O)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.221g/mol
Monoisotopic Mass:
190.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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