sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate

C10H18NNaOS2 — CID 71677643

IUPACsodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate
SMILESCC1(C)CC(O)CC(C)(C)N1C(=S)[S-].[Na+]
InChIInChI=1S/C10H19NOS2.Na/c1-9(2)5-7(12)6-10(3,4)11(9)8(13)14;/h7,12H,5-6H2,1-4H3,(H,13,14);/q;+1/p-1
InChIKeyPMALGVVISRVZEE-UHFFFAOYSA-M
MW255.38 g/mol
LogP-1.16
Rot. Bonds

About sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate

sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate (PubChem CID 71677643) has the molecular formula C10H18NNaOS2 and a molecular weight of 255.38 g/mol. Its IUPAC name is sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate.

Molecular Properties

Compound Namesodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate
PubChem CID71677643
Molecular FormulaC10H18NNaOS2
Molecular Weight255.38 g/mol
Exact Mass255.07
IUPAC Namesodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate
SMILESCC1(C)CC(O)CC(C)(C)N1C(=S)[S-].[Na+]
InChIInChI=1S/C10H19NOS2.Na/c1-9(2)5-7(12)6-10(3,4)11(9)8(13)14;/h7,12H,5-6H2,1-4H3,(H,13,14);/q;+1/p-1
InChIKeyPMALGVVISRVZEE-UHFFFAOYSA-M
XLogP-1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate?
The IUPAC name of sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate (CID 71677643) is sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate.
What is the SMILES notation for sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate?
The canonical SMILES for sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate is CC1(C)CC(O)CC(C)(C)N1C(=S)[S-].[Na+].
What is the InChIKey of sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate?
The InChIKey is PMALGVVISRVZEE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NOS2.Na/c1-9(2)5-7(12)6-10(3,4)11(9)8(13)14;/h7,12H,5-6H2,1-4H3,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate?
sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate has a molecular weight of 255.38 g/mol, XLogP of -1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-hydroxy-2,2,6,6-tetramethylpiperidine-1-carbodithioate is sourced from PubChem (CID 71677643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).