dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride

C5H11Cl2N3OS — CID 134690949

IUPACdimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride
SMILESCS(C)(=O)=Nc1cn[nH]c1.Cl.Cl
InChIInChI=1S/C5H9N3OS.2ClH/c1-10(2,9)8-5-3-6-7-4-5;;/h3-4H,1-2H3,(H,6,7);2*1H
InChIKeyIQVMWARNPZLVKA-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.61
Rot. Bonds1

About dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride

dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride (PubChem CID 134690949) has the molecular formula C5H11Cl2N3OS and a molecular weight of 232.14 g/mol. Its IUPAC name is dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride.

Molecular Properties

Compound Namedimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride
PubChem CID134690949
Molecular FormulaC5H11Cl2N3OS
Molecular Weight232.14 g/mol
Exact Mass231.00
IUPAC Namedimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride
SMILESCS(C)(=O)=Nc1cn[nH]c1.Cl.Cl
InChIInChI=1S/C5H9N3OS.2ClH/c1-10(2,9)8-5-3-6-7-4-5;;/h3-4H,1-2H3,(H,6,7);2*1H
InChIKeyIQVMWARNPZLVKA-UHFFFAOYSA-N
XLogP1.61
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride?
The IUPAC name of dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride (CID 134690949) is dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride.
What is the SMILES notation for dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride?
The canonical SMILES for dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride is CS(C)(=O)=Nc1cn[nH]c1.Cl.Cl.
What is the InChIKey of dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride?
The InChIKey is IQVMWARNPZLVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS.2ClH/c1-10(2,9)8-5-3-6-7-4-5;;/h3-4H,1-2H3,(H,6,7);2*1H.
What are the key properties of dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride?
dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride has a molecular weight of 232.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-oxo-(1H-pyrazol-4-ylimino)-λ6-sulfane;dihydrochloride is sourced from PubChem (CID 134690949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).