N',N'-dipropylethanedithioamide

C8H16N2S2 — CID 3003257

IUPACN',N'-dipropylethanedithioamide
SMILESCCCN(CCC)C(=S)C(N)=S
InChIInChI=1S/C8H16N2S2/c1-3-5-10(6-4-2)8(12)7(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKeyRXHJXYIOWYGACR-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.72
Rot. Bonds4

About N',N'-dipropylethanedithioamide

N',N'-dipropylethanedithioamide (PubChem CID 3003257) 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 CID3003257
Molecular FormulaC8H16N2S2
Molecular Weight204.36 g/mol
Exact Mass204.08
IUPAC NameN',N'-dipropylethanedithioamide
SMILESCCCN(CCC)C(=S)C(N)=S
InChIInChI=1S/C8H16N2S2/c1-3-5-10(6-4-2)8(12)7(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKeyRXHJXYIOWYGACR-UHFFFAOYSA-N
XLogP1.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.72
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'-dipropylethanedithioamide?
The IUPAC name of N',N'-dipropylethanedithioamide (CID 3003257) is N',N'-dipropylethanedithioamide.
What is the SMILES notation for N',N'-dipropylethanedithioamide?
The canonical SMILES for N',N'-dipropylethanedithioamide is CCCN(CCC)C(=S)C(N)=S.
What is the InChIKey of N',N'-dipropylethanedithioamide?
The InChIKey is RXHJXYIOWYGACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S2/c1-3-5-10(6-4-2)8(12)7(9)11/h3-6H2,1-2H3,(H2,9,11).
What are the key properties of N',N'-dipropylethanedithioamide?
N',N'-dipropylethanedithioamide has a molecular weight of 204.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 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 3003257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).