N,N'-bis(2-methoxyethyl)ethanedithioamide

C8H16N2O2S2 — CID 3032813

IUPACN,N'-bis(2-methoxyethyl)ethanedithioamide
SMILESCOCCNC(=S)C(=S)NCCOC
InChIInChI=1S/C8H16N2O2S2/c1-11-5-3-9-7(13)8(14)10-4-6-12-2/h3-6H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyOQNFYFONNMFOPH-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.11
Rot. Bonds6

About N,N'-bis(2-methoxyethyl)ethanedithioamide

N,N'-bis(2-methoxyethyl)ethanedithioamide (PubChem CID 3032813) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N'-bis(2-methoxyethyl)ethanedithioamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyethyl)ethanedithioamide
PubChem CID3032813
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC NameN,N'-bis(2-methoxyethyl)ethanedithioamide
SMILESCOCCNC(=S)C(=S)NCCOC
InChIInChI=1S/C8H16N2O2S2/c1-11-5-3-9-7(13)8(14)10-4-6-12-2/h3-6H2,1-2H3,(H,9,13)(H,10,14)
InChIKeyOQNFYFONNMFOPH-UHFFFAOYSA-N
XLogP0.11
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-methoxyethyl)ethanedithioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methoxyethyl)ethanedithioamide?
The IUPAC name of N,N'-bis(2-methoxyethyl)ethanedithioamide (CID 3032813) is N,N'-bis(2-methoxyethyl)ethanedithioamide.
What is the SMILES notation for N,N'-bis(2-methoxyethyl)ethanedithioamide?
The canonical SMILES for N,N'-bis(2-methoxyethyl)ethanedithioamide is COCCNC(=S)C(=S)NCCOC.
What is the InChIKey of N,N'-bis(2-methoxyethyl)ethanedithioamide?
The InChIKey is OQNFYFONNMFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c1-11-5-3-9-7(13)8(14)10-4-6-12-2/h3-6H2,1-2H3,(H,9,13)(H,10,14).
What are the key properties of N,N'-bis(2-methoxyethyl)ethanedithioamide?
N,N'-bis(2-methoxyethyl)ethanedithioamide has a molecular weight of 236.36 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyethyl)ethanedithioamide is sourced from PubChem (CID 3032813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).