2-(2-aminoethylamino)ethanethiol;dihydrochloride

C4H14Cl2N2S — CID 138039791

IUPAC2-(2-aminoethylamino)ethanethiol;dihydrochloride
SMILESCl.Cl.NCCNCCS
InChIInChI=1S/C4H12N2S.2ClH/c5-1-2-6-3-4-7;;/h6-7H,1-5H2;2*1H
InChIKeyIAPVTWYMINAAGA-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.31
Rot. Bonds4

About 2-(2-aminoethylamino)ethanethiol;dihydrochloride

2-(2-aminoethylamino)ethanethiol;dihydrochloride (PubChem CID 138039791) has the molecular formula C4H14Cl2N2S and a molecular weight of 193.14 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanethiol;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanethiol;dihydrochloride
PubChem CID138039791
Molecular FormulaC4H14Cl2N2S
Molecular Weight193.14 g/mol
Exact Mass192.03
IUPAC Name2-(2-aminoethylamino)ethanethiol;dihydrochloride
SMILESCl.Cl.NCCNCCS
InChIInChI=1S/C4H12N2S.2ClH/c5-1-2-6-3-4-7;;/h6-7H,1-5H2;2*1H
InChIKeyIAPVTWYMINAAGA-UHFFFAOYSA-N
XLogP0.31
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.31
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;dihydrochloride?
The IUPAC name of 2-(2-aminoethylamino)ethanethiol;dihydrochloride (CID 138039791) is 2-(2-aminoethylamino)ethanethiol;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethylamino)ethanethiol;dihydrochloride?
The canonical SMILES for 2-(2-aminoethylamino)ethanethiol;dihydrochloride is Cl.Cl.NCCNCCS.
What is the InChIKey of 2-(2-aminoethylamino)ethanethiol;dihydrochloride?
The InChIKey is IAPVTWYMINAAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S.2ClH/c5-1-2-6-3-4-7;;/h6-7H,1-5H2;2*1H.
What are the key properties of 2-(2-aminoethylamino)ethanethiol;dihydrochloride?
2-(2-aminoethylamino)ethanethiol;dihydrochloride has a molecular weight of 193.14 g/mol, XLogP of 0.31, 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;dihydrochloride is sourced from PubChem (CID 138039791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).