N',N'-dibutylethanedithioamide

C10H20N2S2 — CID 3003258

IUPACN',N'-dibutylethanedithioamide
SMILESCCCCN(CCCC)C(=S)C(N)=S
InChIInChI=1S/C10H20N2S2/c1-3-5-7-12(8-6-4-2)10(14)9(11)13/h3-8H2,1-2H3,(H2,11,13)
InChIKeyKIMKEGUFQXMORH-UHFFFAOYSA-N
MW232.42 g/mol
LogP2.50
Rot. Bonds6

About N',N'-dibutylethanedithioamide

N',N'-dibutylethanedithioamide (PubChem CID 3003258) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is N',N'-dibutylethanedithioamide.

Molecular Properties

Compound NameN',N'-dibutylethanedithioamide
PubChem CID3003258
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC NameN',N'-dibutylethanedithioamide
SMILESCCCCN(CCCC)C(=S)C(N)=S
InChIInChI=1S/C10H20N2S2/c1-3-5-7-12(8-6-4-2)10(14)9(11)13/h3-8H2,1-2H3,(H2,11,13)
InChIKeyKIMKEGUFQXMORH-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
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'-dibutylethanedithioamide?
The IUPAC name of N',N'-dibutylethanedithioamide (CID 3003258) is N',N'-dibutylethanedithioamide.
What is the SMILES notation for N',N'-dibutylethanedithioamide?
The canonical SMILES for N',N'-dibutylethanedithioamide is CCCCN(CCCC)C(=S)C(N)=S.
What is the InChIKey of N',N'-dibutylethanedithioamide?
The InChIKey is KIMKEGUFQXMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-3-5-7-12(8-6-4-2)10(14)9(11)13/h3-8H2,1-2H3,(H2,11,13).
What are the key properties of N',N'-dibutylethanedithioamide?
N',N'-dibutylethanedithioamide has a molecular weight of 232.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutylethanedithioamide is sourced from PubChem (CID 3003258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).