Home Sulfos 1-[2-(ethanesulfonyl)ethyl]-4-methyl-1H-pyrazol-3-amine

1-[2-(ethanesulfonyl)ethyl]-4-methyl-1H-pyrazol-3-amine

CAS No.:
1342187-68-1
Catalog Number:
AG01BELE
Molecular Formula:
C8H15N3O2S
Molecular Weight:
217.2886
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Product Description
Catalog Number:
AG01BELE
Chemical Name:
1-[2-(ethanesulfonyl)ethyl]-4-methyl-1H-pyrazol-3-amine
CAS Number:
1342187-68-1
Molecular Formula:
C8H15N3O2S
Molecular Weight:
217.2886
MDL Number:
MFCD19638815
IUPAC Name:
1-(2-ethylsulfonylethyl)-4-methylpyrazol-3-amine
InChI:
InChI=1S/C8H15N3O2S/c1-3-14(12,13)5-4-11-6-7(2)8(9)10-11/h6H,3-5H2,1-2H3,(H2,9,10)
InChI Key:
KYUCBIYNFMGSML-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)CCn1cc(c(n1)N)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.088g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.287g/mol
Monoisotopic Mass:
217.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties