sodium;diethylcarbamodithioic acid;hydride

C5H12NNaS2 — CID 173014233

IUPACsodium;diethylcarbamodithioic acid;hydride
SMILESCCN(CC)C(=S)S.[H-].[Na+]
InChIInChI=1S/C5H11NS2.Na.H/c1-3-6(4-2)5(7)8;;/h3-4H2,1-2H3,(H,7,8);;/q;+1;-1
InChIKeyATRQSKGBPHCNGF-UHFFFAOYSA-N
MW173.28 g/mol
LogP-1.34
Rot. Bonds2

About sodium;diethylcarbamodithioic acid;hydride

sodium;diethylcarbamodithioic acid;hydride (PubChem CID 173014233) has the molecular formula C5H12NNaS2 and a molecular weight of 173.28 g/mol. Its IUPAC name is sodium;diethylcarbamodithioic acid;hydride.

Molecular Properties

Compound Namesodium;diethylcarbamodithioic acid;hydride
PubChem CID173014233
Molecular FormulaC5H12NNaS2
Molecular Weight173.28 g/mol
Exact Mass173.03
IUPAC Namesodium;diethylcarbamodithioic acid;hydride
SMILESCCN(CC)C(=S)S.[H-].[Na+]
InChIInChI=1S/C5H11NS2.Na.H/c1-3-6(4-2)5(7)8;;/h3-4H2,1-2H3,(H,7,8);;/q;+1;-1
InChIKeyATRQSKGBPHCNGF-UHFFFAOYSA-N
XLogP-1.34
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;diethylcarbamodithioic acid;hydride?
The IUPAC name of sodium;diethylcarbamodithioic acid;hydride (CID 173014233) is sodium;diethylcarbamodithioic acid;hydride.
What is the SMILES notation for sodium;diethylcarbamodithioic acid;hydride?
The canonical SMILES for sodium;diethylcarbamodithioic acid;hydride is CCN(CC)C(=S)S.[H-].[Na+].
What is the InChIKey of sodium;diethylcarbamodithioic acid;hydride?
The InChIKey is ATRQSKGBPHCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.Na.H/c1-3-6(4-2)5(7)8;;/h3-4H2,1-2H3,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;diethylcarbamodithioic acid;hydride?
sodium;diethylcarbamodithioic acid;hydride has a molecular weight of 173.28 g/mol, XLogP of -1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diethylcarbamodithioic acid;hydride is sourced from PubChem (CID 173014233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).