2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride

C4H14Cl2N2S — CID 12574415

IUPAC2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCSCCN
InChIInChI=1S/C4H12N2S.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H
InChIKeyVSLQHTWGCCGXSZ-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.48
Rot. Bonds4

About 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride

2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride (PubChem CID 12574415) has the molecular formula C4H14Cl2N2S and a molecular weight of 193.14 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride
PubChem CID12574415
Molecular FormulaC4H14Cl2N2S
Molecular Weight193.14 g/mol
Exact Mass192.03
IUPAC Name2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCSCCN
InChIInChI=1S/C4H12N2S.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H
InChIKeyVSLQHTWGCCGXSZ-UHFFFAOYSA-N
XLogP0.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride?
The IUPAC name of 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride (CID 12574415) is 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride is Cl.Cl.NCCSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride?
The InChIKey is VSLQHTWGCCGXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H.
What are the key properties of 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride?
2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride has a molecular weight of 193.14 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride is sourced from PubChem (CID 12574415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).