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1492687-71-4 | (1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHANESULFONAMIDE
CAS No: 1492687-71-4 Catalog No: AG01B37F MDL No:MFCD21268458
Product Description
Catalog Number:
AG01B37F
Chemical Name:
(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHANESULFONAMIDE
CAS Number:
1492687-71-4
Molecular Formula:
C4H8N4O2S
Molecular Weight:
176.1969
MDL Number:
MFCD21268458
IUPAC Name:
(2-methyl-1,2,4-triazol-3-yl)methanesulfonamide
InChI:
InChI=1S/C4H8N4O2S/c1-8-4(6-3-7-8)2-11(5,9)10/h3H,2H2,1H3,(H2,5,9,10)
InChI Key:
BWQLKZBTBHKAMQ-UHFFFAOYSA-N
SMILES:
Cn1ncnc1CS(=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:
-1.5
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