Home Sulfos [5-(methanesulfonylmethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride

[5-(methanesulfonylmethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride

CAS No.:
2126161-63-3
Catalog Number:
AG01EI8R
Molecular Formula:
C5H11ClN4O2S
Molecular Weight:
226.6844
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Product Description
Catalog Number:
AG01EI8R
Chemical Name:
[5-(methanesulfonylmethyl)-4H-1,2,4-triazol-3-yl]methanamine hydrochloride
CAS Number:
2126161-63-3
Molecular Formula:
C5H11ClN4O2S
Molecular Weight:
226.6844
MDL Number:
MFCD30752960
IUPAC Name:
[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]methanamine;hydrochloride
InChI:
InChI=1S/C5H10N4O2S.ClH/c1-12(10,11)3-5-7-4(2-6)8-9-5;/h2-3,6H2,1H3,(H,7,8,9);1H
InChI Key:
XDAAKIRRWPWTER-UHFFFAOYSA-N
SMILES:
NCc1nnc([nH]1)CS(=O)(=O)C.Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
226.679g/mol
Monoisotopic Mass:
226.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties