Home Sulfos 1-Piperazinecarboxaldehyde, 4-(methylsulfonyl)-

1-Piperazinecarboxaldehyde, 4-(methylsulfonyl)-

CAS No.:
139605-60-0
Catalog Number:
AG001BCM
Molecular Formula:
C6H12N2O3S
Molecular Weight:
192.2361
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Product Description
Catalog Number:
AG001BCM
Chemical Name:
1-Piperazinecarboxaldehyde, 4-(methylsulfonyl)-
CAS Number:
139605-60-0
Molecular Formula:
C6H12N2O3S
Molecular Weight:
192.2361
MDL Number:
MFCD09225431
IUPAC Name:
4-methylsulfonylpiperazine-1-carbaldehyde
InChI:
InChI=1S/C6H12N2O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h6H,2-5H2,1H3
InChI Key:
KWZZJCDZLWFHNU-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)S(=O)(=O)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.057g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.233g/mol
Monoisotopic Mass:
192.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties