piperazine-1-carbothioamide;hydrochloride

C5H12ClN3S — CID 138987811

IUPACpiperazine-1-carbothioamide;hydrochloride
SMILESCl.NC(=S)N1CCNCC1
InChIInChI=1S/C5H11N3S.ClH/c6-5(9)8-3-1-7-2-4-8;/h7H,1-4H2,(H2,6,9);1H
InChIKeyUZYQWZNORBBCJZ-UHFFFAOYSA-N
MW181.69 g/mol
LogP-0.44
Rot. Bonds

About piperazine-1-carbothioamide;hydrochloride

piperazine-1-carbothioamide;hydrochloride (PubChem CID 138987811) has the molecular formula C5H12ClN3S and a molecular weight of 181.69 g/mol. Its IUPAC name is piperazine-1-carbothioamide;hydrochloride.

Molecular Properties

Compound Namepiperazine-1-carbothioamide;hydrochloride
PubChem CID138987811
Molecular FormulaC5H12ClN3S
Molecular Weight181.69 g/mol
Exact Mass181.04
IUPAC Namepiperazine-1-carbothioamide;hydrochloride
SMILESCl.NC(=S)N1CCNCC1
InChIInChI=1S/C5H11N3S.ClH/c6-5(9)8-3-1-7-2-4-8;/h7H,1-4H2,(H2,6,9);1H
InChIKeyUZYQWZNORBBCJZ-UHFFFAOYSA-N
XLogP-0.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.69
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-carbothioamide;hydrochloride?
The IUPAC name of piperazine-1-carbothioamide;hydrochloride (CID 138987811) is piperazine-1-carbothioamide;hydrochloride.
What is the SMILES notation for piperazine-1-carbothioamide;hydrochloride?
The canonical SMILES for piperazine-1-carbothioamide;hydrochloride is Cl.NC(=S)N1CCNCC1.
What is the InChIKey of piperazine-1-carbothioamide;hydrochloride?
The InChIKey is UZYQWZNORBBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3S.ClH/c6-5(9)8-3-1-7-2-4-8;/h7H,1-4H2,(H2,6,9);1H.
What are the key properties of piperazine-1-carbothioamide;hydrochloride?
piperazine-1-carbothioamide;hydrochloride has a molecular weight of 181.69 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carbothioamide;hydrochloride is sourced from PubChem (CID 138987811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).