Home Sulfos 1-[1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazol-4-yl]ethan-1-ol

1-[1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazol-4-yl]ethan-1-ol

CAS No.:
1343216-16-9
Catalog Number:
AG01A0YQ
Molecular Formula:
C10H18N2O3S
Molecular Weight:
246.3265
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Product Description
Catalog Number:
AG01A0YQ
Chemical Name:
1-[1-(2-methanesulfonylethyl)-3,5-dimethyl-1H-pyrazol-4-yl]ethan-1-ol
CAS Number:
1343216-16-9
Molecular Formula:
C10H18N2O3S
Molecular Weight:
246.3265
MDL Number:
MFCD16862156
IUPAC Name:
1-[3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]ethanol
InChI:
InChI=1S/C10H18N2O3S/c1-7-10(9(3)13)8(2)12(11-7)5-6-16(4,14)15/h9,13H,5-6H2,1-4H3
InChI Key:
SNCYYFGPEGCHOL-UHFFFAOYSA-N
SMILES:
CC(c1c(C)nn(c1C)CCS(=O)(=O)C)O
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.104g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.325g/mol
Monoisotopic Mass:
246.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties