N,N'-dipentylethanedithioamide

C12H24N2S2 — CID 3033319

IUPACN,N'-dipentylethanedithioamide
SMILESCCCCCNC(=S)C(=S)NCCCCC
InChIInChI=1S/C12H24N2S2/c1-3-5-7-9-13-11(15)12(16)14-10-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyUTOHWFSACBQCJZ-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.20
Rot. Bonds8

About N,N'-dipentylethanedithioamide

N,N'-dipentylethanedithioamide (PubChem CID 3033319) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is N,N'-dipentylethanedithioamide.

Molecular Properties

Compound NameN,N'-dipentylethanedithioamide
PubChem CID3033319
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC NameN,N'-dipentylethanedithioamide
SMILESCCCCCNC(=S)C(=S)NCCCCC
InChIInChI=1S/C12H24N2S2/c1-3-5-7-9-13-11(15)12(16)14-10-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyUTOHWFSACBQCJZ-UHFFFAOYSA-N
XLogP3.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dipentylethanedithioamide?
The IUPAC name of N,N'-dipentylethanedithioamide (CID 3033319) is N,N'-dipentylethanedithioamide.
What is the SMILES notation for N,N'-dipentylethanedithioamide?
The canonical SMILES for N,N'-dipentylethanedithioamide is CCCCCNC(=S)C(=S)NCCCCC.
What is the InChIKey of N,N'-dipentylethanedithioamide?
The InChIKey is UTOHWFSACBQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-3-5-7-9-13-11(15)12(16)14-10-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N,N'-dipentylethanedithioamide?
N,N'-dipentylethanedithioamide has a molecular weight of 260.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipentylethanedithioamide is sourced from PubChem (CID 3033319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).