Home Other Building Blocks 1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-piperazine dihydrochloride

1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-piperazine dihydrochloride

CAS No.:
939983-20-7
Catalog Number:
AG01DOOM
Molecular Formula:
C9H20Cl2N2O2S
Molecular Weight:
291.2383
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Product Description
Catalog Number:
AG01DOOM
Chemical Name:
1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-piperazine dihydrochloride
CAS Number:
939983-20-7
Molecular Formula:
C9H20Cl2N2O2S
Molecular Weight:
291.2383
MDL Number:
MFCD13461776
IUPAC Name:
4-piperazin-1-ylthiane 1,1-dioxide;dihydrochloride
InChI:
InChI=1S/C9H18N2O2S.2ClH/c12-14(13)7-1-9(2-8-14)11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H
InChI Key:
IDXMINCFYOKNTR-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC(CC1)N1CCNCC1.Cl.Cl
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
291.231g/mol
Monoisotopic Mass:
290.062g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties