2-(2-aminoethylamino)ethanethiol

C4H12N2S — CID 6397706

IUPAC2-(2-aminoethylamino)ethanethiol
SMILESNCCNCCS
InChIInChI=1S/C4H12N2S/c5-1-2-6-3-4-7/h6-7H,1-5H2
InChIKeyISADKHQORCWQLD-UHFFFAOYSA-N
MW120.22 g/mol
LogP-0.54
Rot. Bonds4

About 2-(2-aminoethylamino)ethanethiol

2-(2-aminoethylamino)ethanethiol (PubChem CID 6397706) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanethiol.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanethiol
PubChem CID6397706
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC Name2-(2-aminoethylamino)ethanethiol
SMILESNCCNCCS
InChIInChI=1S/C4H12N2S/c5-1-2-6-3-4-7/h6-7H,1-5H2
InChIKeyISADKHQORCWQLD-UHFFFAOYSA-N
XLogP-0.54
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-aminoethylamino)ethanethiol?
The IUPAC name of 2-(2-aminoethylamino)ethanethiol (CID 6397706) is 2-(2-aminoethylamino)ethanethiol.
What is the SMILES notation for 2-(2-aminoethylamino)ethanethiol?
The canonical SMILES for 2-(2-aminoethylamino)ethanethiol is NCCNCCS.
What is the InChIKey of 2-(2-aminoethylamino)ethanethiol?
The InChIKey is ISADKHQORCWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c5-1-2-6-3-4-7/h6-7H,1-5H2.
What are the key properties of 2-(2-aminoethylamino)ethanethiol?
2-(2-aminoethylamino)ethanethiol has a molecular weight of 120.22 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanethiol is sourced from PubChem (CID 6397706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).