2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol

C6H16N2S2 — CID 10329942

IUPAC2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol
SMILESSCCNCCNCCS
InChIInChI=1S/C6H16N2S2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
InChIKeyBDEVHCUEHMHUML-UHFFFAOYSA-N
MW180.34 g/mol
LogP0.03
Rot. Bonds7

About 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol

2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol (PubChem CID 10329942) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol
PubChem CID10329942
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC Name2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol
SMILESSCCNCCNCCS
InChIInChI=1S/C6H16N2S2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
InChIKeyBDEVHCUEHMHUML-UHFFFAOYSA-N
XLogP0.03
TPSA24.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol?
The IUPAC name of 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol (CID 10329942) is 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol?
The canonical SMILES for 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol is SCCNCCNCCS.
What is the InChIKey of 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol?
The InChIKey is BDEVHCUEHMHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2.
What are the key properties of 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol?
2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol has a molecular weight of 180.34 g/mol, XLogP of 0.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfanylethylamino)ethylamino]ethanethiol is sourced from PubChem (CID 10329942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).