N,N'-diethylethanedithioamide

C6H12N2S2 — CID 3032652

IUPACN,N'-diethylethanedithioamide
SMILESCCNC(=S)C(=S)NCC
InChIInChI=1S/C6H12N2S2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyUCZDKRCEDKACKB-UHFFFAOYSA-N
MW176.31 g/mol
LogP0.86
Rot. Bonds2

About N,N'-diethylethanedithioamide

N,N'-diethylethanedithioamide (PubChem CID 3032652) has the molecular formula C6H12N2S2 and a molecular weight of 176.31 g/mol. Its IUPAC name is N,N'-diethylethanedithioamide.

Molecular Properties

Compound NameN,N'-diethylethanedithioamide
PubChem CID3032652
Molecular FormulaC6H12N2S2
Molecular Weight176.31 g/mol
Exact Mass176.04
IUPAC NameN,N'-diethylethanedithioamide
SMILESCCNC(=S)C(=S)NCC
InChIInChI=1S/C6H12N2S2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyUCZDKRCEDKACKB-UHFFFAOYSA-N
XLogP0.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 50.86
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 N,N'-diethylethanedithioamide?
The IUPAC name of N,N'-diethylethanedithioamide (CID 3032652) is N,N'-diethylethanedithioamide.
What is the SMILES notation for N,N'-diethylethanedithioamide?
The canonical SMILES for N,N'-diethylethanedithioamide is CCNC(=S)C(=S)NCC.
What is the InChIKey of N,N'-diethylethanedithioamide?
The InChIKey is UCZDKRCEDKACKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N,N'-diethylethanedithioamide?
N,N'-diethylethanedithioamide has a molecular weight of 176.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylethanedithioamide is sourced from PubChem (CID 3032652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).