1-(thian-4-yl)piperazine;dihydrochloride

C9H20Cl2N2S — CID 54759030

IUPAC1-(thian-4-yl)piperazine;dihydrochloride
SMILESC1CN(C2CCSCC2)CCN1.Cl.Cl
InChIInChI=1S/C9H18N2S.2ClH/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H
InChIKeyLCAKJBDYQNCARY-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.63
Rot. Bonds1

About 1-(thian-4-yl)piperazine;dihydrochloride

1-(thian-4-yl)piperazine;dihydrochloride (PubChem CID 54759030) has the molecular formula C9H20Cl2N2S and a molecular weight of 259.25 g/mol. Its IUPAC name is 1-(thian-4-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(thian-4-yl)piperazine;dihydrochloride
PubChem CID54759030
Molecular FormulaC9H20Cl2N2S
Molecular Weight259.25 g/mol
Exact Mass258.07
IUPAC Name1-(thian-4-yl)piperazine;dihydrochloride
SMILESC1CN(C2CCSCC2)CCN1.Cl.Cl
InChIInChI=1S/C9H18N2S.2ClH/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H
InChIKeyLCAKJBDYQNCARY-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)piperazine;dihydrochloride?
The IUPAC name of 1-(thian-4-yl)piperazine;dihydrochloride (CID 54759030) is 1-(thian-4-yl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(thian-4-yl)piperazine;dihydrochloride?
The canonical SMILES for 1-(thian-4-yl)piperazine;dihydrochloride is C1CN(C2CCSCC2)CCN1.Cl.Cl.
What is the InChIKey of 1-(thian-4-yl)piperazine;dihydrochloride?
The InChIKey is LCAKJBDYQNCARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S.2ClH/c1-7-12-8-2-9(1)11-5-3-10-4-6-11;;/h9-10H,1-8H2;2*1H.
What are the key properties of 1-(thian-4-yl)piperazine;dihydrochloride?
1-(thian-4-yl)piperazine;dihydrochloride has a molecular weight of 259.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)piperazine;dihydrochloride is sourced from PubChem (CID 54759030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).