[ethoxy(ethyl)amino]methanedithiol

C5H13NOS2 — CID 11576205

IUPAC[ethoxy(ethyl)amino]methanedithiol
SMILESCCON(CC)C(S)S
InChIInChI=1S/C5H13NOS2/c1-3-6(5(8)9)7-4-2/h5,8-9H,3-4H2,1-2H3
InChIKeyWORVTWRUCZTOSN-UHFFFAOYSA-N
MW167.30 g/mol
LogP1.40
Rot. Bonds4

About [ethoxy(ethyl)amino]methanedithiol

[ethoxy(ethyl)amino]methanedithiol (PubChem CID 11576205) has the molecular formula C5H13NOS2 and a molecular weight of 167.30 g/mol. Its IUPAC name is [ethoxy(ethyl)amino]methanedithiol.

Molecular Properties

Compound Name[ethoxy(ethyl)amino]methanedithiol
PubChem CID11576205
Molecular FormulaC5H13NOS2
Molecular Weight167.30 g/mol
Exact Mass167.04
IUPAC Name[ethoxy(ethyl)amino]methanedithiol
SMILESCCON(CC)C(S)S
InChIInChI=1S/C5H13NOS2/c1-3-6(5(8)9)7-4-2/h5,8-9H,3-4H2,1-2H3
InChIKeyWORVTWRUCZTOSN-UHFFFAOYSA-N
XLogP1.40
TPSA12.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethyl)amino]methanedithiol?
The IUPAC name of [ethoxy(ethyl)amino]methanedithiol (CID 11576205) is [ethoxy(ethyl)amino]methanedithiol.
What is the SMILES notation for [ethoxy(ethyl)amino]methanedithiol?
The canonical SMILES for [ethoxy(ethyl)amino]methanedithiol is CCON(CC)C(S)S.
What is the InChIKey of [ethoxy(ethyl)amino]methanedithiol?
The InChIKey is WORVTWRUCZTOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS2/c1-3-6(5(8)9)7-4-2/h5,8-9H,3-4H2,1-2H3.
What are the key properties of [ethoxy(ethyl)amino]methanedithiol?
[ethoxy(ethyl)amino]methanedithiol has a molecular weight of 167.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethyl)amino]methanedithiol is sourced from PubChem (CID 11576205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).