N,N'-dipropylethanedithioamide

C8H16N2S2 — CID 5121824

IUPACN,N'-dipropylethanedithioamide
SMILESCCCNC(=S)C(=S)NCCC
InChIInChI=1S/C8H16N2S2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPTEINEGYUNDMEB-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.64
Rot. Bonds4

About N,N'-dipropylethanedithioamide

N,N'-dipropylethanedithioamide (PubChem CID 5121824) has the molecular formula C8H16N2S2 and a molecular weight of 204.36 g/mol. Its IUPAC name is N,N'-dipropylethanedithioamide.

Molecular Properties

Compound NameN,N'-dipropylethanedithioamide
PubChem CID5121824
Molecular FormulaC8H16N2S2
Molecular Weight204.36 g/mol
Exact Mass204.08
IUPAC NameN,N'-dipropylethanedithioamide
SMILESCCCNC(=S)C(=S)NCCC
InChIInChI=1S/C8H16N2S2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyPTEINEGYUNDMEB-UHFFFAOYSA-N
XLogP1.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.64
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'-dipropylethanedithioamide?
The IUPAC name of N,N'-dipropylethanedithioamide (CID 5121824) is N,N'-dipropylethanedithioamide.
What is the SMILES notation for N,N'-dipropylethanedithioamide?
The canonical SMILES for N,N'-dipropylethanedithioamide is CCCNC(=S)C(=S)NCCC.
What is the InChIKey of N,N'-dipropylethanedithioamide?
The InChIKey is PTEINEGYUNDMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N,N'-dipropylethanedithioamide?
N,N'-dipropylethanedithioamide has a molecular weight of 204.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropylethanedithioamide is sourced from PubChem (CID 5121824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).